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Basic information
- Standard SMILES
C[C@H](Nc1cc(F)ccc1[N+](=O)[O-])C(=O)O- InChIKey
IUTUZGJZYOAMJD-YFKPBYRVSA-N- Molecular formula
- C9H9FN2O4
- Average molar mass
- 228.18 g/mol
- Monoisotopic mass
- 228.05463493
Names & identifiers
- Preferred name
- N-(5-fluoro-2-nitrophenyl)-L-alanine
- IUPAC
- (2S)-2-(5-fluoro-2-nitroanilino)propanoic acid
Names & synonyms
SCHEMBL4869291IUTUZGJZYOAMJD-YFKPBYRVSA-NN-(5-fluoro-2-nitrophenyl)-L-alanine
Database identifiers
- PubChem CID
- 69223262
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 281
Related reactions
2 records
Compound notes
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