MBR

TRIBROMOMETHANE

Created: 1999-07-08
Last modified:  2014-09-12

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Chemical Details

Formal Charge0
Atom Count5
Chiral Atom Count0
Bond Count4
Aromatic Bond Count0
2D diagram of MBR

Chemical Component Summary

NameTRIBROMOMETHANE
Systematic Name (OpenEye OEToolkits)tribromomethane
FormulaC H Br3
Molecular Weight252.731
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04BrC(Br)Br
SMILESCACTVS3.341BrC(Br)Br
SMILESOpenEye OEToolkits1.5.0C(Br)(Br)Br
Canonical SMILESCACTVS3.341 BrC(Br)Br
Canonical SMILESOpenEye OEToolkits1.5.0 C(Br)(Br)Br
InChIInChI1.03 InChI=1S/CHBr3/c2-1(3)4/h1H
InChIKeyInChI1.03 DIKBFYAXUHHXCS-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB03054 
NameBromoform
Groups experimental
Synonyms
  • Tribrommethan
  • Tribromomethane
  • Bromoform
Categories
  • Carcinogens
  • Hydrocarbons, Halogenated
  • Noxae
  • Teratogens
  • Toxic Actions
CAS number75-25-2

Related Resource References

Resource NameReference
PubChem 5558
ChEMBL CHEMBL345248
ChEBI CHEBI:38682
CCDC/CSD SEHJIA, LIHMIB, SEHJIA01, SEHJIA02, BROFRM06, RERBEW, CIFZOJ, AGEHOL, JEVZAL, JEVZAL10, SEHJAS, LIHMAT, BROFRM05, EVENOK, NOLLEG, HEKYED, ANAZUM, MOYVIH, HOZNIV, IXUJAO, KUCBAL, VESVEV, IXUJES, QOWCOU, BFHMTA, YAVPEQ, SEHJEW, OQULAQ, QARJOM, CAVKAP, RAQBAQ
COD 1504397, 1504396