Basic information
- CAS
322-73-6- Standard SMILES
Nc1ccccc1Sc1ccc(F)cc1[N+](=O)[O-]- InChIKey
UQWUSLRRVOVDDY-UHFFFAOYSA-N- Molecular formula
- C12H9FN2O2S
- Average molar mass
- 264.28 g/mol
- Monoisotopic mass
- 264.03687687
Names & identifiers
- Preferred name
- 2-(4-Fluoro-2-nitrophenyl)sulfanylaniline
- IUPAC
- 2-(4-fluoro-2-nitrophenyl)sulfanylaniline
Names & synonyms
NSC403043322-73-6CHEMBL3359097DTXSID40323104NSC-4030432-[(4-Fluoro-2-nitrophenyl)sulfanyl]aniline
Database identifiers
- CAS
322-73-6- PubChem CID
- 345417
- DTXSID
DTXSID40323104- ChEMBL
CHEMBL3359097
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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