Mrv1652305271900042D          

  2  1  0  0  0  0            999 V2000
    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 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1787

> <DATABASE_NAME>
t3db

> <SMILES>
CBr

> <INCHI_IDENTIFIER>
InChI=1S/CH3Br/c1-2/h1H3

> <INCHI_KEY>
GZUXJHMPEANEGY-UHFFFAOYSA-N

> <FORMULA>
CH3Br

> <MOLECULAR_WEIGHT>
94.939

> <EXACT_MASS>
93.941812743

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
5.589527603959984

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bromomethane

> <ALOGPS_LOGP>
0.68

> <JCHEM_LOGP>
1.0215100499999998

> <ALOGPS_LOGS>
-0.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
14.2958

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.86e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl bromide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1787

> <NAME>
Bromomethane

> <CAS>
74-83-9

> <SYNONYMS>
Bercema; BMM; Brom-methan; Brom-O-gas; Brom-O-gas methyl bromide soil fumigant; Brom-O-gaz; Brom-O-sol; Brommethan; Bromo-Methane; Bromometano; Bromur di metile; Bromure de methyle; Bromuro di metile; Broommethaan; Celfume; CH3Br; Chlorodibromomethane; Curafume; Dawson 100; Detia gas ex-m; Dow Fume MC2; Dowfume; Dowfume mc-2; Dowfume MC-2 Fumigant; Dowfume mc-2 soil fumigant; Dowfume MC-2R; Dowfume mc-33; Drexel plant bed gas; EDCO; Embafume; Fumigant-1; Fumigant-1 (Obs.); Halon 1001; Haltox; Iscobrome; Kayafume; M-b-c Fumigant; MB; MBC soil fumigant; Mbc-33 Soil Fumigant; MBX; Meb R; MEBR; Merth-O-gas; Metafume; Meth-O-gas; Methogas; Methyl bromide; Methyl bromide as a structural fumigant; Methyl bromide rodent fumigant (with chloropicrin); Methyl bromide, 14C-labeled; Methyl bromide, BSI, ISO, JMAF; Methyl fume; Methylbromid; Methylbromide; Metylu bromek; Monobrommethan; Monobromomethane; Pestmaster; Pestmaster (obs.); Pestmaster Soil Fumigant-1; Profume; Profume (obs.); R 40B1; Rfdfif@; Rotox; Superior Methyl Bromide-2; Terabol; Terr-O-cide II; Terr-O-gas; Terr-O-gas 100; Terr-O-gas 67; Tri-brom; Zytox

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

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