Benzimidazole, 4-bromo-6-nitro-2-(trifluoromethyl)-

HCID 23091

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Basic information

CAS: 6609-37-6
Standard SMILES: O=[N+]([O-])c1cc(Br)c2nc(C(F)(F)F)[nH]c2c1
InChIKey: RJHWHAVCPNBCTM-UHFFFAOYSA-N
Molecular formula: C8H3BrF3N3O2
Average molar mass: 310.03 g/mol
Monoisotopic mass: 308.93607

Names & identifiers

Preferred name: Benzimidazole, 4-bromo-6-nitro-2-(trifluoromethyl)-
IUPAC: 4-bromo-6-nitro-2-(trifluoromethyl)-1H-benzimidazole

Names & synonyms

BENZIMIDAZOLE, 4-BROMO-6-NITRO-2-(TRIFLUOROMETHYL)-BRN 09271976609-37-64-Bromo-6-nitro-2-(trifluoromethyl)benzimidazoleDTXSID60216281RefChem:325907DTXCID60138772SCHEMBL150237974-Bromo-6-nitro-2-(trifluoromethyl)-1H-1,3-benzimidazole4-bromo-6-nitro-2-(trifluoromethyl)-1H-benzo[d]imidazole

Database identifiers

CAS: 6609-37-6
PubChem CID: 23091
DTXSID: DTXSID60216281
Nikkaji: J582.068E

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 74.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 17
Formal charge: 0
Complexity: 322

Related reactions

2 records

New reaction record

HRID 1622484As productuspto-grants-2014_07

HRID 1622485As reactantuspto-grants-2014_07

Compound notes

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