Cas no 149849-93-4 (4-Pyrimidinecarbonylchloride, 2-chloro-)

4-Pyrimidinecarbonylchloride, 2-chloro- structure
149849-93-4 structure
Product Name:4-Pyrimidinecarbonylchloride, 2-chloro-
CAS No:149849-93-4
MF:C5H2Cl2N2O
MW:176.988178730011
CID:100054
PubChem ID:45081490
Update Time:2025-04-18

4-Pyrimidinecarbonylchloride, 2-chloro- Chemical and Physical Properties

Names and Identifiers

    • 4-Pyrimidinecarbonylchloride, 2-chloro-
    • 2-chloropyrimidine-4-carbonyl chloride
    • 2-chloropyrimidine-4-carboxylic acid chloride
    • 4-Pyrimidinecarbonyl chloride, 2-chloro- (9CI)
    • EN300-7350077
    • LMTSRHRQRKAZEN-UHFFFAOYSA-N
    • DTXSID20664643
    • CS-0045591
    • FT-0747095
    • 149849-93-4
    • SCHEMBL3053770
    • DA-44173
    • Inchi： 1S/C5H2Cl2N2O/c6-4(10)3-1-2-8-5(7)9-3/h1-2H
    • InChI Key： LMTSRHRQRKAZEN-UHFFFAOYSA-N
    • SMILES： ClC1=NC=CC(C(=O)Cl)=N1

Computed Properties

  • Exact Mass: 175.95456
  • Monoisotopic Mass: 175.954
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 142
  • 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
  • Topological Polar Surface Area: 42.8A^2
  • XLogP3: 2

Experimental Properties

  • PSA: 42.85

4-Pyrimidinecarbonylchloride, 2-chloro- Pricemore >>

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