Basic information
- CAS
73927-20-5- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)C2CCCCC2Cl)c([N+](=O)[O-])c1- InChIKey
OMSWTTLZLNVEJO-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O5S
- Average molar mass
- 332.76 g/mol
- Monoisotopic mass
- 332.0233704
Names & identifiers
- Preferred name
- 1-(2-Chlorocyclohexane-1-sulfinyl)-2,4-dinitrobenzene
- IUPAC
- 1-(2-chlorocyclohexyl)sulfinyl-2,4-dinitrobenzene
- English name
- 2-Chlorocyclohexyl 2,4-dinitrophenyl sulfoxide
- Molecular formula
- C12H13ClN2O5S
- Molecular weight
- 332.76
Names & synonyms
DTXSID609950891-(2-Chlorocyclohexane-1-sulfinyl)-2,4-dinitrobenzeneRefChem:1053934DTXCID00142211873927-20-5(2-Chlorocyclohexyl)2,4-dinitrophenyl sulfoxide1-(2-Chlorocyclohexylsulfinyl)-2,4-dinitrobenzene2-Chlorocyclohexyl 2,4-dinitrophenyl sulfoxideNSC 221140BRN 3164551Sulfoxide, 2-chlorocyclohexyl 2,4-dinitrophenylSulfoxide, (2-chlorocyclohexyl)2,4-dinitrophenyl
Show more names
Benzene, 1-[(2-chlorocyclohexyl)sulfinyl]-2,4-dinitro-
Benzene, 1-((2-chlorocyclohexyl)sulfinyl)-2,4-dinitro-NSC221140NSC-221140
Database identifiers
- CAS
73927-20-5- PubChem CID
- 99799
- DTXSID
DTXSID60995089- Nikkaji
- J90.683B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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