Cas no 1260759-38-3 (4-Chloroquinazoline-7-carbonitrile)

4-Chloroquinazoline-7-carbonitrile structure
1260759-38-3 structure
Product Name:4-Chloroquinazoline-7-carbonitrile
CAS No:1260759-38-3
MF:C9H4ClN3
MW:189.601160049438
MDL:MFCD15527393
CID:1089060
PubChem ID:71721372
Update Time:2025-04-20

4-Chloroquinazoline-7-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Chloroquinazoline-7-carbonitrile
    • CS-0107810
    • SY036151
    • AC1942
    • DA-46546
    • DTXSID70856970
    • 1260759-38-3
    • AKOS022174244
    • MFCD15527393
    • SCHEMBL17680365
    • CS-12037
    • 7-Quinazolinecarbonitrile, 4-chloro-
    • MDL: MFCD15527393
    • Inchi: 1S/C9H4ClN3/c10-9-7-2-1-6(4-11)3-8(7)12-5-13-9/h1-3,5H
    • InChI Key: HPPKVEMLKHNBPV-UHFFFAOYSA-N
    • SMILES: ClC1=C2C=CC(C#N)=CC2=NC=N1

Computed Properties

  • Exact Mass: 189.0093748g/mol
  • Monoisotopic Mass: 189.0093748g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 234
  • 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: 2.2
  • Topological Polar Surface Area: 49.6?2

Experimental Properties

  • Density: 1.44±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Almost insoluble (0.049 g/l) (25 o C),

4-Chloroquinazoline-7-carbonitrile Pricemore >>

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