Cas no 1222556-80-0 (5-Chloromethyl-2-isopropyloxazole)

5-Chloromethyl-2-isopropyloxazole structure
1222556-80-0 structure
Product Name:5-Chloromethyl-2-isopropyloxazole
CAS No:1222556-80-0
MF:C7H10ClNO
MW:159.613400936127
CID:4688804
PubChem ID:67358147
Update Time:2024-03-01

5-Chloromethyl-2-isopropyloxazole Chemical and Physical Properties

Names and Identifiers

    • 5-chloromethyl-2-isopropyloxazole
    • CBAAZSZPDANZLL-UHFFFAOYSA-N
    • 5-Chloromethyl-2-isopropyloxazole
    • Inchi: 1S/C7H10ClNO/c1-5(2)7-9-4-6(3-8)10-7/h4-5H,3H2,1-2H3
    • InChI Key: CBAAZSZPDANZLL-UHFFFAOYSA-N
    • SMILES: ClCC1=CN=C(C(C)C)O1

Computed Properties

  • Exact Mass: 159.0450916g/mol
  • Monoisotopic Mass: 159.0450916g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 108
  • 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: 26
  • XLogP3: 1.9
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