Basic information
- Standard SMILES
O=[N+]([O-])c1cc(OC(F)(F)F)ccc1S(=O)(=O)Cl- InChIKey
DKFGCYIVEVTXNT-UHFFFAOYSA-N- Molecular formula
- C7H3ClF3NO5S
- Average molar mass
- 305.62 g/mol
- Monoisotopic mass
- 304.9372555
Names & identifiers
- Preferred name
- 2-Nitro-4-trifluoromethoxy-benzenesulfonyl chloride
- IUPAC
- 2-nitro-4-(trifluoromethoxy)benzenesulfonyl chloride
Names & synonyms
1137860-88-82-Nitro-4-trifluoromethoxy-benzenesulfonyl chloride2-nitro-4-(trifluoromethoxy)benzene-1-sulfonyl chlorideSCHEMBL119733292-Nitro-4-(trifluoromethoxy)benzenesulfonylchloride
Database identifiers
- PubChem CID
- 86669754
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 414
Related reactions
2 records
Compound notes
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