Basic information
- CAS
89427-04-3- Standard SMILES
Cc1ccc2[nH]c(C(F)(F)F)nc2c1Br- InChIKey
HXJCFALYERVBLM-UHFFFAOYSA-N- Molecular formula
- C9H6BrF3N2
- Average molar mass
- 279.06 g/mol
- Monoisotopic mass
- 277.96665
Names & identifiers
- Preferred name
- Benzimidazole, 4-bromo-5-methyl-2-(trifluoromethyl)-
- IUPAC
- 4-bromo-5-methyl-2-(trifluoromethyl)-1H-benzimidazole
Names & synonyms
89427-04-3BENZIMIDAZOLE, 4-BROMO-5-METHYL-2-(TRIFLUOROMETHYL)-4-Bromo-5-methyl-2-(trifluoromethyl)benzimidazoleDTXSID90237666RefChem:325904DTXCID401601574-Bromo-5-methyl-2-(trifluoromethyl)-1H-1,3-benzimidazole
Database identifiers
- CAS
89427-04-3- PubChem CID
- 55946
- DTXSID
DTXSID90237666
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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