Basic information
- CAS
1155598-44-9- Standard SMILES
Nc1nc2cc(F)ccc2n1-c1cccc(Cl)c1- InChIKey
WWSQXRUOWZMAJV-UHFFFAOYSA-N- Molecular formula
- C13H9ClFN3
- Average molar mass
- 261.68 g/mol
- Monoisotopic mass
- 261.0469032
Names & identifiers
- Preferred name
- 1H-Benzimidazol-2-amine, 1-(3-chlorophenyl)-5-fluoro-
- IUPAC
- 1-(3-chlorophenyl)-5-fluorobenzimidazol-2-amine
Names & synonyms
1H-Benzimidazol-2-amine, 1-(3-chlorophenyl)-5-fluoro-DTXSID9012147501155598-44-91-(3-Chlorophenyl)-5-fluoro-1H-benzimidazol-2-amine
Database identifiers
- CAS
1155598-44-9- PubChem CID
- 43661679
- DTXSID
DTXSID901214750
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…