Basic information
- Standard SMILES
CC(C)(Nc1cc(F)ccc1[N+](=O)[O-])C(=O)O- InChIKey
DJFWHWSKWHCIJT-UHFFFAOYSA-N- Molecular formula
- C10H11FN2O4
- Average molar mass
- 242.2 g/mol
- Monoisotopic mass
- 242.070285
Names & identifiers
- Preferred name
- N-(5-Fluoro-2-nitrophenyl)-2-methylalanine
- IUPAC
- 2-(5-fluoro-2-nitroanilino)-2-methylpropanoic acid
Names & synonyms
SCHEMBL9379080DJFWHWSKWHCIJT-UHFFFAOYSA-NAKOS011660256N-(5-Fluoro-2-nitrophenyl)-2-methylalanine
Database identifiers
- PubChem CID
- 22912907
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 316
Related reactions
7 records
Compound notes
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