2828225
  -OEChem-08082410242D

 30 31  0     1  0  0  0  0  0999 V2000
    2.0000    4.1830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.1830    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.3170    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5981   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -4.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6970   -1.3435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7585    0.2819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1807   -0.5290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7057    0.2936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951   -2.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010   -2.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951   -3.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010   -3.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -4.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    3.2907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    2.6004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 10  2  0  0  0  0
  3 16  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 24  1  0  0  0  0
  5 16  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2828225

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
303

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAEAAAAAAAAAAAAGAAAAAAAAAAwAAAAAAAAAAABAAAAHgIYAAAADQOBmEAwAIBiAACIAiFSEAACAAAgAAIaqAEAAIhIIDKAkRCAIAAgkAAIiAcYiMCOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N'-(2-chloroacetyl)-2-phenyl-cyclopropanecarbohydrazide

> <PUBCHEM_IUPAC_CAS_NAME>
N'-(2-chloro-1-oxoethyl)-2-phenyl-1-cyclopropanecarbohydrazide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>&apos;-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide

> <PUBCHEM_IUPAC_NAME>
N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N'-(2-chloranylethanoyl)-2-phenyl-cyclopropane-1-carbohydrazide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N'-(2-chloroacetyl)-2-phenyl-cyclopropanecarbohydrazide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H13ClN2O2/c13-7-11(16)14-15-12(17)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,16)(H,15,17)

> <PUBCHEM_IUPAC_INCHIKEY>
MDZKSIJGAAFPGQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
252.0665554

> <PUBCHEM_MOLECULAR_FORMULA>
C12H13ClN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
252.69

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(C1C(=O)NNC(=O)CCl)C2=CC=CC=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(C1C(=O)NNC(=O)CCl)C2=CC=CC=C2

> <PUBCHEM_CACTVS_TPSA>
58.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
252.0665554

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  13  8
12  14  8
13  15  8
14  15  8
6  9  3
7  10  3
9  11  8
9  12  8

$$$$
