Basic information
- CAS
3671-18-9- Standard SMILES
O=[N+]([O-])c1cc(Cl)cc2[nH]c(C(F)(F)F)nc12- InChIKey
STOJWTVNHAJLBI-UHFFFAOYSA-N- Molecular formula
- C8H3ClF3N3O2
- Average molar mass
- 265.57 g/mol
- Monoisotopic mass
- 264.9865885
Names & identifiers
- Preferred name
- Benzimidazole, 6-chloro-4-nitro-2-(trifluoromethyl)-
- IUPAC
- 6-chloro-4-nitro-2-(trifluoromethyl)-1H-benzimidazole
- English name
- 6-Chloro-4-nitro-2-(trifluoromethyl)-1H-benzimidazole
- Molecular weight
- 0
Names & synonyms
3671-18-9BENZIMIDAZOLE, 6-CHLORO-4-NITRO-2-(TRIFLUOROMETHYL)-6-Chloro-4-nitro-2-(trifluoromethyl)benzimidazoleBenzimidazole, 4-nitro-6-chloro-2-(trifluoromethyl)-DTXSID10190168RefChem:325978DTXCID201126596-chloro-4-nitro-2-(trifluoromethyl)-1H-benzimidazoleSCHEMBL8855571SCHEMBL8855581STOJWTVNHAJLBI-UHFFFAOYSA-N6-Chloro-4-nitro-2-(trifluoromethyl)-1H-1,3-benzimidazole
Database identifiers
- CAS
3671-18-9- PubChem CID
- 19341
- DTXSID
DTXSID10190168- Nikkaji
- J41.316J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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