4'-(2,4-Difluorophenylthio)-3'-nitroacetophenone
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Basic information
- Standard SMILES
CC(=O)c1ccc(Sc2ccc(F)cc2F)c([N+](=O)[O-])c1- InChIKey
VRGIHOYUTVYFAP-UHFFFAOYSA-N- Molecular formula
- C14H9F2NO3S
- Average molar mass
- 309.29 g/mol
Names & identifiers
- Preferred name
- 4'-(2,4-Difluorophenylthio)-3'-nitroacetophenone
- IUPAC
- 1-[4-(2,4-difluorophenyl)sulfanyl-3-nitrophenyl]ethanone
Names & synonyms
SCHEMBL9535266VRGIHOYUTVYFAP-UHFFFAOYSA-NAKOS0088772714'-(2,4-difluorophenylthio)-3'-nitroacetophenone
Database identifiers
- PubChem CID
- 8567488
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
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Related reactions
2 records
Compound notes
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