Cas no 2137601-58-0 (Benzenemethanesulfonamide, N,α-dimethyl-3-nitro-)

Benzenemethanesulfonamide, N,α-dimethyl-3-nitro- structure
2137601-58-0 structure
Product Name:Benzenemethanesulfonamide, N,α-dimethyl-3-nitro-
CAS No:2137601-58-0
MF:C9H12N2O4S
MW:244.267580986023
CID:5287048
PubChem ID:165442743
Update Time:2023-08-23

Benzenemethanesulfonamide, N,α-dimethyl-3-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanesulfonamide, N,α-dimethyl-3-nitro-
    • 2137601-58-0
    • N-methyl-1-(3-nitrophenyl)ethane-1-sulfonamide
    • EN300-680303
    • Inchi: 1S/C9H12N2O4S/c1-7(16(14,15)10-2)8-4-3-5-9(6-8)11(12)13/h3-7,10H,1-2H3
    • InChI Key: XQBLWWIVZRGEHD-UHFFFAOYSA-N
    • SMILES: C1(C(C)S(NC)(=O)=O)=CC=CC([N+]([O-])=O)=C1

Computed Properties

  • Exact Mass: 244.05177804g/mol
  • Monoisotopic Mass: 244.05177804g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 344
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.1
  • Topological Polar Surface Area: 100?2

Experimental Properties

  • Density: 1.348±0.06 g/cm3(Predicted)
  • Boiling Point: 384.3±52.0 °C(Predicted)
  • pka: 10.96±0.40(Predicted)

Benzenemethanesulfonamide, N,α-dimethyl-3-nitro- Pricemore >>

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