Cas no 950603-44-8 (2-Chloromethyl-benzoic Acid tert-Butyl Ester)

2-Chloromethyl-benzoic Acid tert-Butyl Ester structure
950603-44-8 structure
Product Name:2-Chloromethyl-benzoic Acid tert-Butyl Ester
CAS No:950603-44-8
MF:C12H15ClO2
MW:226.699302911758
MDL:MFCD02180887
CID:880174
Update Time:2025-04-19

2-Chloromethyl-benzoic Acid tert-Butyl Ester Chemical and Physical Properties

Names and Identifiers

    • Tert-Butyl-2-(chloromethyl)-benzoate
    • 2-(tert-Butoxycarbonyl)benzyl bromide
    • 2-Chloromethyl-benzoic acid tert-butyl ester
    • tert-butyl 2-(chloromethyl)benzoate
    • 2-Chloromethyl-benzoic Acid tert-Butyl Ester
    • MDL: MFCD02180887
    • Inchi: 1S/C12H15ClO2/c1-12(2,3)15-11(14)10-7-5-4-6-9(10)8-13/h4-7H,8H2,1-3H3
    • InChI Key: JXSCJKVLGWWQAN-UHFFFAOYSA-N
    • SMILES: ClCC1C=CC=CC=1C(=O)OC(C)(C)C

Computed Properties

  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 220
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.1

Experimental Properties

  • Boiling Point: 110°C/0.2mm

2-Chloromethyl-benzoic Acid tert-Butyl Ester Security Information

  • Hazardous Material Identification: C

2-Chloromethyl-benzoic Acid tert-Butyl Ester Pricemore >>

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