Mrv0541 02241204352D          

  4  3  0  0  0  0            999 V2000
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM001131

> <DATABASE_NAME>
chemdb

> <SMILES>
C[As](Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/CH3AsCl2/c1-2(3)4/h1H3

> <INCHI_KEY>
VXRMBBLRHSRVDK-UHFFFAOYSA-N

> <FORMULA>
CH3AsCl2

> <MOLECULAR_WEIGHT>
160.862

> <EXACT_MASS>
159.882776927

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
10.197434486627158

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dichloro(methyl)arsane

> <ALOGPS_LOGP>
1.48

> <JCHEM_LOGP>
1.3457

> <ALOGPS_LOGS>
-0.84

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
18.2183

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.33e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyldichloroarsine

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1311

> <NAME>
Methyldichloroarsine

> <CAS>
593-89-5

> <SYNONYMS>
Dichloromethylarsine; Methylarsine dichloride; Methylarsonous dichloride; Methyldichlorarsine

> <TYPES>
Arsenic Compound; Organic Compound; Organochloride; Organometallic; Industrial/Workplace Toxin; Synthetic Compound

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