Basic information
- CAS
5416-05-7- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)CCCl)c([N+](=O)[O-])c1- InChIKey
HTYNGAPVKVYOCO-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2O5S
- Average molar mass
- 278.67 g/mol
- Monoisotopic mass
- 277.9764202
Names & identifiers
- Preferred name
- 2-Chloroethyl 2,4-dinitrophenyl sulfoxide
- IUPAC
- 1-(2-chloroethylsulfinyl)-2,4-dinitrobenzene
- English name
- (2-Chloroethyl)(2,4-dinitrophenyl) sulfoxide
- Molecular weight
- 0
Names & synonyms
2-Chloroethyl 2,4-dinitrophenyl sulfoxide5416-05-7Sulfoxide, 2-chloroethyl 2,4-dinitrophenylDTXSID001034107RefChem:1062848DTXCID401518804NSC 11333BRN 3394532WLN: WNR CNW DSO&2GNSC11333NSC-113332-06-00-00315 (Beilstein Handbook Reference)
Show more names
(2-Chloroethyl)(2,4-dinitrophenyl) sulfoxide
Benzene, 1-[(2-chloroethyl)sulfinyl]-2,4-dinitro-
Database identifiers
- CAS
5416-05-7- PubChem CID
- 79439
- DTXSID
DTXSID001034107- Nikkaji
- J48.761I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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