Basic information
- Standard SMILES
N#Cc1cc(C2CC2)ccc1Nc1cc(F)ccc1[N+](=O)[O-]- InChIKey
APYGGYWYYPLCOM-UHFFFAOYSA-N- Molecular formula
- C16H12FN3O2
- Average molar mass
- 297.28 g/mol
- Monoisotopic mass
- 297.0913548
Names & identifiers
- Preferred name
- 5-Cyclopropyl-2-(5-fluoro-2-nitro-phenylamino)-benzonitrile
- IUPAC
- 5-cyclopropyl-2-(5-fluoro-2-nitroanilino)benzonitrile
Names & synonyms
SCHEMBL4844419APYGGYWYYPLCOM-UHFFFAOYSA-N5-Cyclopropyl-2-(5-fluoro-2-nitro-phenylamino)-benzonitrile
Database identifiers
- PubChem CID
- 58625874
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 468
Related reactions
3 records
Compound notes
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