Basic information
- CAS
61174-18-3- Standard SMILES
O=[N+]([O-])c1ccccc1S(=O)(=O)c1ccc(Cl)cc1- InChIKey
QKTUYJALSXYYSB-UHFFFAOYSA-N- Molecular formula
- C12H8ClNO4S
- Average molar mass
- 297.71 g/mol
- Monoisotopic mass
- 296.9862566
Names & identifiers
- Preferred name
- 2-Nitrophenyl 4-chlorophenyl sulfone
- IUPAC
- 1-(4-chlorophenyl)sulfonyl-2-nitrobenzene
Names & synonyms
NSC8565161174-18-3NSC6292672-Nitrophenyl 4-chlorophenyl sulfoneNSC-856512NO2Ph-SO2-4ClPhSCHEMBL8885322DTXSID60292808NSC-6292671-(4-chlorophenyl)sulfonyl-2-nitro-benzene1-(4-Chlorobenzene-1-sulfonyl)-2-nitrobenzene
Database identifiers
- CAS
61174-18-3- PubChem CID
- 257545
- DTXSID
DTXSID60292808- Nikkaji
- J795.940K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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