Basic information
- CAS
73927-13-6- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)C2CCCCC2Cl)c([N+](=O)[O-])c1- InChIKey
GQLQCMKDSNJDKL-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O6S
- Average molar mass
- 348.76 g/mol
- Monoisotopic mass
- 348.018285
Names & identifiers
- Preferred name
- 1-(2-Chlorocyclohexane-1-sulfonyl)-2,4-dinitrobenzene
- IUPAC
- 1-(2-chlorocyclohexyl)sulfonyl-2,4-dinitrobenzene
- English name
- (2-Chlorocyclohexyl)(2,4-dinitrophenyl) sulfone
- Molecular formula
- C12H13ClN2O6S
- Molecular weight
- 348.76
Names & synonyms
DTXSID209950851-(2-Chlorocyclohexane-1-sulfonyl)-2,4-dinitrobenzeneRefChem:1053935DTXCID2014221142-Chlorocyclohexyl 2,4-dinitrophenyl sulfone1-(2-Chlorocyclohexylsulfonyl)-2,4-dinitrobenzene73927-13-6NSC 405645BRN 3223929Sulfone, 2-chlorocyclohexyl 2,4-dinitrophenylSulfone,4-dinitrophenylBenzene, 1-((2-chlorocyclohexyl)sulfonyl)-2,4-dinitro-
Show more names
(2-Chlorocyclohexyl)(2,4-dinitrophenyl) sulfoneBenzene, 1-[(2-chlorocyclohexyl)sulfonyl]-2,4-dinitro-
SCHEMBL12785902NSC405645NSC-405645
Database identifiers
- CAS
73927-13-6- PubChem CID
- 101142
- DTXSID
DTXSID20995085- Nikkaji
- J90.678F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…