5280970
  -OEChem-03261011592D

  9  8  0     0  0  0  0  0  0999 V2000
    2.0000   -0.4400    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0600    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5280970

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
31.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAAAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAIAAAAACAOAAEAAAAAAAACAACBCAAAAAAAAAAAIAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-1,3-dichloroprop-1-ene

> <PUBCHEM_IUPAC_CAS_NAME>
(Z)-1,3-dichloro-1-propene

> <PUBCHEM_IUPAC_NAME>
(Z)-1,3-dichloroprop-1-ene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-1,3-dichloroprop-1-ene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(Z)-1,3-dichloroprop-1-ene

> <PUBCHEM_NIST_INCHI>
InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-

> <PUBCHEM_NIST_INCHIKEY>
UOORRWUZONOOLO-UPHRSURJSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
109.969006

> <PUBCHEM_MOLECULAR_FORMULA>
C3H4Cl2

> <PUBCHEM_MOLECULAR_WEIGHT>
110.96986

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C=CCl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(/C=C\Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
109.969006

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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

$$$$