Basic information
- Standard SMILES
COC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(OC)cc2)cc1F- InChIKey
CKUZIIVXZAAMCK-UHFFFAOYSA-N- Molecular formula
- C16H15FN2O5
- Average molar mass
- 334.3 g/mol
- Monoisotopic mass
- 334.09649975
Names & identifiers
- Preferred name
- Methyl 2-fluoro-4-(4-methoxybenzylamino)-5-nitrobenzoate
- IUPAC
- methyl 2-fluoro-4-[(4-methoxyphenyl)methylamino]-5-nitrobenzoate
Names & synonyms
SCHEMBL12099879CKUZIIVXZAAMCK-UHFFFAOYSA-Nmethyl 2-fluoro-4-(4-methoxybenzylamino)-5-nitrobenzoate
Database identifiers
- PubChem CID
- 70664665
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 437
Related reactions
2 records
Compound notes
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