Basic information
- CAS
31416-87-2- Standard SMILES
[Br-].[NH3+]CC(O)c1cccc(F)c1- InChIKey
HFEPAHZTIFCVMH-UHFFFAOYSA-N- Molecular formula
- C8H11BrFNO
- Average molar mass
- 236.08 g/mol
- Monoisotopic mass
- 235.0008
Names & identifiers
- Preferred name
- Benzyl alcohol, alpha-(aminomethyl)-m-fluoro-, hydrobromide
- IUPAC
- [2-(3-fluorophenyl)-2-hydroxyethyl]azanium bromide
Names & synonyms
BENZYL ALCOHOL, alpha-(AMINOMETHYL)-m-FLUORO-, HYDROBROMIDE31416-87-2RefChem:1079448alpha-Aminomethyl-3-fluorobenzyl alcohol hydrobromide2-Amino-1-(3-fluorophenyl)ethanol hydrobromideEthanol, 2-amino-1-(3-fluorophenyl)-, hydrobromide
Database identifiers
- CAS
31416-87-2- PubChem CID
- 35799
Properties
Computed structural properties
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 121
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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