Basic information
- CAS
395101-27-6- Standard SMILES
Fc1ccc(-c2n[nH]c3ccc(Br)cc23)cc1- InChIKey
ODJJTQJBKPTIHC-UHFFFAOYSA-N- Molecular formula
- C13H8BrFN2
- Average molar mass
- 291.12 g/mol
- Monoisotopic mass
- 289.98548858
Names & identifiers
- Preferred name
- 5-bromo-3-(4-fluorophenyl)-1H-indazole
- IUPAC
- 5-bromo-3-(4-fluorophenyl)-1H-indazole
Names & synonyms
5-bromo-3-(4-fluorophenyl)-1H-indazole395101-27-61H-Indazole, 5-bromo-3-(4-fluorophenyl)-SCHEMBL4734012ODJJTQJBKPTIHC-UHFFFAOYSA-NDTXSID701284101
Database identifiers
- CAS
395101-27-6- PubChem CID
- 22480293
- DTXSID
DTXSID701284101
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 268
Related reactions
13 records
Compound notes
Loading…