Cas no 884500-88-3 (4-(isoquinolin-3-yl)phenol)

4-(isoquinolin-3-yl)phenol structure
4-(isoquinolin-3-yl)phenol structure
Product Name:4-(isoquinolin-3-yl)phenol
CAS No:884500-88-3
MF:C15H11NO
MW:221.253943681717
MDL:MFCD11042297
CID:720377
PubChem ID:135425124
Update Time:2025-04-19

4-(isoquinolin-3-yl)phenol Chemical and Physical Properties

Names and Identifiers

    • Phenol,4-(3-isoquinolinyl)-
    • 4-(2H-isoquinolin-3-ylidene)cyclohexa-2,5-dien-1-one
    • 4-(Isoquinolin-3-yl)phenol
    • 3-(4-HYDROXYPHENYL)ISOQUINOLINE
    • Phenol,4-(3-isoquinolinyl)
    • DTXSID00469370
    • Phenol, 4-(3-isoquinolinyl)-
    • 884500-88-3
    • VNXUAZCSHFABMS-UHFFFAOYSA-N
    • EN300-83862
    • AS-37912
    • 4-isoquinolin-3-ylphenol
    • MFCD11042297
    • SCHEMBL312230
    • AKOS027380767
    • 4-Isoquinolin-3-yl-phenol
    • 4-(isoquinolin-3-yl)phenol
    • MDL: MFCD11042297
    • Inchi: 1S/C15H11NO/c17-14-7-5-11(6-8-14)15-9-12-3-1-2-4-13(12)10-16-15/h1-10,17H
    • InChI Key: VNXUAZCSHFABMS-UHFFFAOYSA-N
    • SMILES: OC1C=CC(=CC=1)C1C=C2C=CC=CC2=CN=1

Computed Properties

  • Exact Mass: 221.08400
  • Monoisotopic Mass: 221.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 247
  • 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: 3.6
  • Topological Polar Surface Area: 33.1?2

Experimental Properties

  • PSA: 33.12000
  • LogP: 3.60740

4-(isoquinolin-3-yl)phenol Customs Data

  • HS CODE:2933499090
  • Customs Data:

    China Customs Code:

    2933499090

    Overview:

    2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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