Cas no 1261849-95-9 (3-chloro-5-(difluoromethoxy)benzenamine)

3-chloro-5-(difluoromethoxy)benzenamine structure
1261849-95-9 structure
Product Name:3-chloro-5-(difluoromethoxy)benzenamine
CAS No:1261849-95-9
MF:C7H6ClF2NO
MW:193.578447818756
CID:2106105
PubChem ID:91618833
Update Time:2024-11-06

3-chloro-5-(difluoromethoxy)benzenamine Chemical and Physical Properties

Names and Identifiers

    • 3-chloro-5-(difluoromethoxy)Benzenamine
    • Benzenamine, 3-chloro-5-(difluoromethoxy)-
    • 3-Chloro-5-(difluoromethoxy)aniline
    • CID 91618833
    • SCHEMBL22081760
    • 1261849-95-9
    • CS-0310919
    • JHDMJVISUBGQHI-UHFFFAOYSA-N
    • DA-23778
    • F92213
    • 3-chloro-5-(difluoromethoxy)benzenamine
    • Inchi: 1S/C7H6ClF2NO/c8-4-1-5(11)3-6(2-4)12-7(9)10/h1-3,7H,11H2
    • InChI Key: JHDMJVISUBGQHI-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=C(C=1)OC(F)F)N

Computed Properties

  • Exact Mass: 193.0105978g/mol
  • Monoisotopic Mass: 193.0105978g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 147
  • 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
  • Topological Polar Surface Area: 35.2
  • XLogP3: 2.8

Experimental Properties

  • Density: 1.393±0.06 g/cm3(Predicted)
  • Boiling Point: 274.1±35.0 °C(Predicted)
  • pka: 2.59±0.10(Predicted)

3-chloro-5-(difluoromethoxy)benzenamine Pricemore >>

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