4-Nitro-4'-chlorodiphenylsulfoxide
Basic information
- CAS
24535-53-3- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)c2ccc(Cl)cc2)cc1- InChIKey
QHRJSLLMHXPNGT-UHFFFAOYSA-N- Molecular formula
- C12H8ClNO3S
- Average molar mass
- 281.72 g/mol
- Monoisotopic mass
- 280.991342
Names & identifiers
- Preferred name
- 4-Nitro-4'-chlorodiphenylsulfoxide
- IUPAC
- 1-(4-chlorophenyl)sulfinyl-4-nitrobenzene
Names & synonyms
24535-53-3C12H8ClNO3S4-Nitro-4'-chlorodiphenylsulfoxideQHRJSLLMHXPNGT-UHFFFAOYSA-NDTXSID3013579661-Chloro-4-(4-nitrobenzene-1-sulfinyl)benzene1-Chloro-4-[(4-nitrophenyl)sulfinyl]benzene #Benzene, 1-chloro-4-[(4-nitrophenyl)sulfinyl]-
Database identifiers
- CAS
24535-53-3- PubChem CID
- 624554
- DTXSID
DTXSID301357966- Nikkaji
- J586.112H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 318
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
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Compound notes
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