Mrv0541 02241204122D          

  3  2  0  0  0  0            999 V2000
    1.2376   -0.7146    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9521   -1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6666   -0.7146    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
M  END
> <DATABASE_ID>
T3D1806

> <DATABASE_NAME>
t3db

> <SMILES>
BrC=C

> <INCHI_IDENTIFIER>
InChI=1S/C2H3Br/c1-2-3/h2H,1H2

> <INCHI_KEY>
INLLPKCGLOXCIV-UHFFFAOYSA-N

> <FORMULA>
C2H3Br

> <MOLECULAR_WEIGHT>
106.949

> <EXACT_MASS>
105.941812743

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
6.613351403751274

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bromoethene

> <ALOGPS_LOGP>
1.19

> <JCHEM_LOGP>
1.5887143926666665

> <ALOGPS_LOGS>
-1.32

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
17.595399999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.12e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
vinyl bromide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1806

> <NAME>
Vinyl bromide

> <CAS>
593-60-2

> <SYNONYMS>
1-Bromoethylene; Bromoethene; Bromoethene (9CI); Bromoethylene; Bromoethylene polymer; Bromure de vinyle; C2H3Br; Ethene, bromo-, homopolymer; Ethene, bromo-, homopolymer (9CI); Ethylene, bromo-, polymer; Monobromoethylene; Polybromoethylene; Polyvinyl bromide; Polyvinylbromide; PVBR; Saytex VBR; Vinyl bromide polymer; Vinyl bromide solution; Vinyl bromide, inhibited; Vinyl-13C2 Bromide (gas); Vinylbromid

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

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