Basic information
- CAS
723284-79-5- Standard SMILES
[NH3+][C@@H](CC(=O)[O-])c1cccc(F)c1- InChIKey
GZNJUJNKZBHINS-QMMMGPOBSA-N- Molecular formula
- C9H10FNO2
- Average molar mass
- 183.18 g/mol
- Monoisotopic mass
- 183.06955672
Names & identifiers
- Preferred name
- (3S)-3-azaniumyl-3-(3-fluorophenyl)propanoate
- IUPAC
- (3S)-3-azaniumyl-3-(3-fluorophenyl)propanoate
Database identifiers
- CAS
723284-79-5- PubChem CID
- 6934166
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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