Cas no 301856-45-1 (Benzenesulfonylchloride, 3-nitro-4-(trifluoromethyl)-)

Benzenesulfonylchloride, 3-nitro-4-(trifluoromethyl)- structure
301856-45-1 structure
Product Name:Benzenesulfonylchloride, 3-nitro-4-(trifluoromethyl)-
CAS No:301856-45-1
MF:C7H3ClF3NO4S
MW:289.616230249405
CID:299145
PubChem ID:23288074
Update Time:2025-04-19

Benzenesulfonylchloride, 3-nitro-4-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonylchloride, 3-nitro-4-(trifluoromethyl)-
    • 3-Nitro-4-trifluoromethylphenylsulfonylchloride
    • 3-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride
    • 4-NITRO-3-(TRIFLUOROMETHYL)BENZENESULPHONYL CHLORIDE
    • 3-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride
    • DTXSID801223879
    • GDJPESFQLZUZMS-UHFFFAOYSA-N
    • FT-0619192
    • SCHEMBL4673628
    • 301856-45-1
    • Inchi: 1S/C7H3ClF3NO4S/c8-17(15,16)4-1-2-5(7(9,10)11)6(3-4)12(13)14/h1-3H
    • InChI Key: GDJPESFQLZUZMS-UHFFFAOYSA-N
    • SMILES: ClS(C1C=CC(C(F)(F)F)=C(C=1)[N+](=O)[O-])(=O)=O

Computed Properties

  • Exact Mass: 288.94239
  • Monoisotopic Mass: 288.9423409g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 399
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 88.3?2

Experimental Properties

  • PSA: 77.28
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