Mrv0541 02241204372D          

  3  2  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.7145    0.0000 Br  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
M  END
> <DATABASE_ID>
T3D1795

> <DATABASE_NAME>
t3db

> <SMILES>
BrCBr

> <INCHI_IDENTIFIER>
InChI=1S/CH2Br2/c2-1-3/h1H2

> <INCHI_KEY>
FJBFPHVGVWTDIP-UHFFFAOYSA-N

> <FORMULA>
CH2Br2

> <MOLECULAR_WEIGHT>
173.835

> <EXACT_MASS>
171.852325358

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
8.672095863609629

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dibromomethane

> <ALOGPS_LOGP>
1.48

> <JCHEM_LOGP>
1.039391276

> <ALOGPS_LOGS>
-1.29

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
22.0715

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.82e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dibromomethane

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1795

> <NAME>
Dibromomethane

> <CAS>
74-95-3

> <SYNONYMS>
CH2Br2; Dibrommethan; Dibromoethane; Dibromomethylene; Methylenbromid; Methylene bromide; methylene bromide ion (1+); methylene bromide, 79Br2-labeled; methylene bromide, 80Br-labeled; methylene bromide, 80Br2-labeled; methylene bromide, 82Br-labeled; methylene bromide, 82Br2-labeled; Methylene dibromide; Qmacd\qih

> <TYPES>
Organic Compound; Organobromide; Bromide Compound; Industrial/Workplace Toxin; Synthetic Compound

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