Basic information
- Standard SMILES
OCc1ncnn1-c1cc(F)ccc1Br- InChIKey
RBABIWOBBIKCTL-UHFFFAOYSA-N- Molecular formula
- C9H7BrFN3O
- Average molar mass
- 272.07 g/mol
- Monoisotopic mass
- 270.97565
Names & identifiers
- Preferred name
- (2-(2-bromo-5-fluorophenyl)-2H-1,2,4-triazol-3-yl)methanol
- IUPAC
- [2-(2-bromo-5-fluorophenyl)-1,2,4-triazol-3-yl]methanol
Names & synonyms
SCHEMBL4040026RBABIWOBBIKCTL-UHFFFAOYSA-N(2-(2-bromo-5-fluorophenyl)-2H-1,2,4-triazol-3-yl)methanol
Database identifiers
- PubChem CID
- 21069783
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Related reactions
5 records
Compound notes
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