Cas no 26066-16-0 (1-(Chloromethyl)-3-isopropoxybenzene)

1-(Chloromethyl)-3-isopropoxybenzene structure
26066-16-0 structure
Product Name:1-(Chloromethyl)-3-isopropoxybenzene
CAS No:26066-16-0
MF:C10H13ClO
MW:184.662622213364
MDL:MFCD11121536
CID:1425399
PubChem ID:29541155
Update Time:2025-04-20

1-(Chloromethyl)-3-isopropoxybenzene Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-(chloromethyl)-3-(1-methylethoxy)-
    • 1-(chloromethyl)-3-isopropoxybenzene
    • 3-isopropoxybenzyl chloride
    • WBOJRMMVAQIUEN-UHFFFAOYSA-N
    • 1-(Chloromethyl)-3-isopropoxybenzen
    • 1-(chloromethyl)-3-propan-2-yloxybenzene
    • 26066-16-0
    • SCHEMBL757234
    • 1-(Chloromethyl)-3-(1-methylethoxy)benzene
    • 1-(chloromethyl)-3-(propan-2-yloxy)benzene
    • AS-66490
    • I11048
    • DTXSID201267203
    • AKOS009225217
    • MFCD11121536
    • DA-07586
    • 1-(Chloromethyl)-3-isopropoxybenzene
    • MDL: MFCD11121536
    • Inchi: 1S/C10H13ClO/c1-8(2)12-10-5-3-4-9(6-10)7-11/h3-6,8H,7H2,1-2H3
    • InChI Key: WBOJRMMVAQIUEN-UHFFFAOYSA-N
    • SMILES: ClCC1=CC=CC(=C1)OC(C)C

Computed Properties

  • Exact Mass: 184.06559
  • Monoisotopic Mass: 184.0654927g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 125
  • 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: 3.7
  • Topological Polar Surface Area: 9.2

Experimental Properties

  • PSA: 9.23

1-(Chloromethyl)-3-isopropoxybenzene Pricemore >>

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