Basic information
- CAS
67031-42-9- Standard SMILES
CC(C)[NH2+]CC(O)c1cccc(F)c1.[Br-]- InChIKey
OJKJKODNVSHFNV-UHFFFAOYSA-N- Molecular formula
- C11H17BrFNO
- Average molar mass
- 278.16 g/mol
- Monoisotopic mass
- 277.04775
Names & identifiers
- Preferred name
- Benzyl alcohol, 3-fluoro-alpha-isopropylaminomethyl-, hydrobromide
- IUPAC
- [2-(3-fluorophenyl)-2-hydroxyethyl]-propan-2-ylazanium bromide
Names & synonyms
3-Fluoro-alpha-isopropylaminomethylbenzyl alcohol hydrobromide1-(3-Fluorophenyl)-2-isopropylaminoethanol hydrobromideEthanol, 1-(3-fluorophenyl)-2-isopropylamino-, hydrobromideBENZYL ALCOHOL, 3-FLUORO-alpha-ISOPROPYLAMINOMETHYL-, HYDROBROMIDE67031-42-9RefChem:328545
Database identifiers
- CAS
67031-42-9- PubChem CID
- 48899
Properties
Computed structural properties
- Topological polar surface area
- 36.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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