Cas no 88237-16-5 (Isoquinoline, 1-(dichloromethyl)-)

Isoquinoline, 1-(dichloromethyl)- structure
88237-16-5 structure
Product Name:Isoquinoline, 1-(dichloromethyl)-
CAS No:88237-16-5
MF:C10H7Cl2N
MW:212.075280427933
CID:640240
PubChem ID:13159876
Update Time:2025-04-19

Isoquinoline, 1-(dichloromethyl)- Chemical and Physical Properties

Names and Identifiers

    • Isoquinoline, 1-(dichloromethyl)-
    • 1-(dichloromethyl)isoquinoline
    • 1-dichloromethylisoquinoline
    • SY331101
    • DTXSID20523382
    • 88237-16-5
    • MFCD28669135
    • SCHEMBL3300031
    • Inchi: 1S/C10H7Cl2N/c11-10(12)9-8-4-2-1-3-7(8)5-6-13-9/h1-6,10H
    • InChI Key: NJQVYZQWQIEQKH-UHFFFAOYSA-N
    • SMILES: ClC(C1C2C=CC=CC=2C=CN=1)Cl

Computed Properties

  • Exact Mass: 210.9955546g/mol
  • Monoisotopic Mass: 210.9955546g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 172
  • 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: 3.2
  • Topological Polar Surface Area: 12.9?2
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