Benzene, 1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)-
Basic information
- CAS
71236-97-0- Standard SMILES
CS(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]- InChIKey
GQUQPVPSQYXUQL-UHFFFAOYSA-N- Molecular formula
- C8H6F3NO3S
- Average molar mass
- 253.2 g/mol
- Monoisotopic mass
- 253.00204871
Names & identifiers
- Preferred name
- Benzene, 1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)-
- IUPAC
- 1-methylsulfinyl-2-nitro-4-(trifluoromethyl)benzene
Names & synonyms
71236-97-0Benzene, 1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)-RefChem:3236291-methylsulfinyl-2-nitro-4-(trifluoromethyl)benzeneCHEMBL4513871SCHEMBL13040709GQUQPVPSQYXUQL-UHFFFAOYSA-NDTXSID701200268CCG-2564731-(Methanesulfinyl)-2-nitro-4-(trifluoromethyl)benzene
Database identifiers
- CAS
71236-97-0- PubChem CID
- 2819902
- DTXSID
DTXSID701200268- ChEMBL
CHEMBL4513871
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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