3-Amino-3-(4-fluoro-3-nitrophenyl)propanoic acid
Basic information
- CAS
773126-10-6- Standard SMILES
NC(CC(=O)O)c1ccc(F)c([N+](=O)[O-])c1- InChIKey
FQQBZLDKAWFNNG-UHFFFAOYSA-N- Molecular formula
- C9H9FN2O4
- Average molar mass
- 228.18 g/mol
Names & identifiers
- Preferred name
- 3-Amino-3-(4-fluoro-3-nitrophenyl)propanoic acid
- IUPAC
- 3-amino-3-(4-fluoro-3-nitrophenyl)propanoic acid
- English name
- 3-AMino-3-(4-fluoro-3-nitrophenyl)propanoic acid
- Molecular formula
- C9H9FN2O4
- Molecular weight
- 228.18
Names & synonyms
3-Amino-3-(4-fluoro-3-nitrophenyl)propanoic acid773126-10-6MFCD06206382SCHEMBL27801893AKOS022627340AS-67853SY506876W10198EN300-18267203-Amino-3-(4-fluoro-3-nitrophenyl)propanoicacidF4550303-amino-3-(4-fluoro-3-nitro-phenyl)propanoic acid
Show more names
Benzenepropanoic acid, β-amino-4-fluoro-3-nitro-
Database identifiers
- CAS
773126-10-6
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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