Mrv1533004171520442D          

  5  4  0  0  0  0            999 V2000
    2.0625   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004308

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC(=O)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C3H3ClO/c1-2-3(4)5/h2H,1H2

> <INCHI_KEY>
HFBMWMNUJJDEQZ-UHFFFAOYSA-N

> <FORMULA>
C3H3ClO

> <MOLECULAR_WEIGHT>
90.51

> <EXACT_MASS>
89.9872424

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
7.619006002171415

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
prop-2-enoyl chloride

> <ALOGPS_LOGP>
0.52

> <JCHEM_LOGP>
1.0662769376666668

> <ALOGPS_LOGS>
-0.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.712322699649786

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
21.1499

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.87e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
acryloyl chloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Acrylyl chloride

> <CAS>
814-68-6

> <SYNONYMS>
2-Propenoyl chloride; Acrylyl Chlorde

$$$$