Cas no 230630-82-7 (3-allyl-6-chloropyrimidine-2,4(1H,3H)-dione)

3-allyl-6-chloropyrimidine-2,4(1H,3H)-dione structure
230630-82-7 structure
Product Name:3-allyl-6-chloropyrimidine-2,4(1H,3H)-dione
CAS No:230630-82-7
MF:C7H7ClN2O2
MW:186.595680475235
CID:1109468
PubChem ID:10607612
Update Time:2025-04-20

3-allyl-6-chloropyrimidine-2,4(1H,3H)-dione Chemical and Physical Properties

Names and Identifiers

    • 3-allyl-6-chloropyrimidine-2,4(1H,3H)-dione
    • DA-07886
    • 230630-82-7
    • SCHEMBL7964576
    • Inchi: 1S/C7H7ClN2O2/c1-2-3-10-6(11)4-5(8)9-7(10)12/h2,4H,1,3H2,(H,9,12)
    • InChI Key: FKNJRHRZTARNIS-UHFFFAOYSA-N
    • SMILES: ClC1=CC(N(C(N1)=O)CC=C)=O

Computed Properties

  • Exact Mass: 186.0196052g/mol
  • Monoisotopic Mass: 186.0196052g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 273
  • 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: 0.7
  • Topological Polar Surface Area: 49.4?2

3-allyl-6-chloropyrimidine-2,4(1H,3H)-dione Related Literature

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