Cas no 95104-24-8 (2-Bromoquinoline-4-carbonitrile)

2-Bromoquinoline-4-carbonitrile structure
95104-24-8 structure
Product Name:2-Bromoquinoline-4-carbonitrile
CAS No:95104-24-8
MF:C10H5BrN2
MW:233.064100980759
MDL:MFCD08705661
CID:799188
PubChem ID:20430568
Update Time:2025-04-19

2-Bromoquinoline-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Quinolinecarbonitrile,2-bromo-
    • 2-BROMO-4-CYANOQUINOLINE
    • 2-bromoquinoline-4-carbonitrile
    • DTXSID40606989
    • SCHEMBL10802144
    • AKOS013198502
    • CS-0343249
    • 95104-24-8
    • EN300-339723
    • FT-0757079
    • SB71948
    • A917473
    • O10705
    • 37485-99-7
    • DS-13075
    • DB-081610
    • 2-Bromo-4-quinolinecarbonitrile; 2-Bromo-4-cyanoquinoline
    • 2-Bromoquinoline-4-carbonitrile
    • MDL: MFCD08705661
    • Inchi: 1S/C10H5BrN2/c11-10-5-7(6-12)8-3-1-2-4-9(8)13-10/h1-5H
    • InChI Key: WBJXNFJBFBJGHO-UHFFFAOYSA-N
    • SMILES: BrC1=CC(C#N)=C2C=CC=CC2=N1

Computed Properties

  • Exact Mass: 231.96400
  • Monoisotopic Mass: 231.96361g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 232
  • 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
  • Topological Polar Surface Area: 36.7?2

Experimental Properties

  • Boiling Point: 279.2°C at 760 mmHg
  • PSA: 36.68000
  • LogP: 2.86898

2-Bromoquinoline-4-carbonitrile Security Information

2-Bromoquinoline-4-carbonitrile Pricemore >>

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