22110119
  -OEChem-06192423192D

 25 26  0     0  0  0  0  0  0999 V2000
    2.8660    2.2327    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2673    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    0.1980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    2.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4732    0.1282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750    0.8179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750    1.6474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4732    2.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.6847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 16  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5 15  2  0  0  0  0
  6 11  1  0  0  0  0
  6 15  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  2  0  0  0  0
 13 22  1  0  0  0  0
 15 16  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
22110119

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
264

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAGAAAAAAAAAAAAAAAAAAAAAAA0QAAAAAAAAACRAAAAHgIQAAAACA+hkGIwxoLABACIACVSUACCCAAhJwAAiAAG7ohNJiLFspvGOCrm1BnK6AewUAMAAGAAAwAAQBAAwAAGAACAIAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-chloro-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-chloro-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-chloro-<I>N</I>-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-chloro-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-chloranyl-N-(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-chloro-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H9Cl2NO3/c11-5-10(14)13-7-4-9-8(3-6(7)12)15-1-2-16-9/h3-4H,1-2,5H2,(H,13,14)

> <PUBCHEM_IUPAC_INCHIKEY>
QRGBGJCLKIHNHF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
260.9959485

> <PUBCHEM_MOLECULAR_FORMULA>
C10H9Cl2NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
262.09

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COC2=C(O1)C=C(C(=C2)Cl)NC(=O)CCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COC2=C(O1)C=C(C(=C2)Cl)NC(=O)CCl

> <PUBCHEM_CACTVS_TPSA>
47.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
260.9959485

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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  12  8
11  14  8
13  14  8
7  12  8
7  8  8
8  13  8

$$$$
