Basic information
- Standard SMILES
CS(=O)(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1- InChIKey
FCNMVAFNFVRWOA-UHFFFAOYSA-N- Molecular formula
- C8H6F3NO4S
- Average molar mass
- 269.2 g/mol
- Monoisotopic mass
- 268.99696333
Names & identifiers
- Preferred name
- 1-Methanesulfonyl-3-nitro-5-trifluoromethylbenzene
- IUPAC
- 1-methylsulfonyl-3-nitro-5-(trifluoromethyl)benzene
Names & synonyms
1-methanesulfonyl-3-nitro-5-trifluoromethylbenzeneSCHEMBL28714731-(methylsulfonyl)-3-nitro-5-(trifluoromethyl)benzene
Database identifiers
- PubChem CID
- 68423100
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 394
Related reactions
6 records
Compound notes
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