Cas no 1784117-49-2 (methyl 3-amino-6-chloropyridazine-4-carboxylate)

methyl 3-amino-6-chloropyridazine-4-carboxylate structure
1784117-49-2 structure
Product Name:methyl 3-amino-6-chloropyridazine-4-carboxylate
CAS No:1784117-49-2
MF:C6H6ClN3O2
MW:187.583739757538
CID:6292200
PubChem ID:84048818
Update Time:2024-03-01

methyl 3-amino-6-chloropyridazine-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • methyl 3-amino-6-chloropyridazine-4-carboxylate
    • EN300-19582766
    • SCHEMBL18038681
    • E83270
    • 1784117-49-2
    • Inchi: 1S/C6H6ClN3O2/c1-12-6(11)3-2-4(7)9-10-5(3)8/h2H,1H3,(H2,8,10)
    • InChI Key: GKPKAXNMDLEJIG-UHFFFAOYSA-N
    • SMILES: ClC1=CC(C(=O)OC)=C(N)N=N1

Computed Properties

  • Exact Mass: 187.0148541g/mol
  • Monoisotopic Mass: 187.0148541g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 178
  • 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: 0.9
  • Topological Polar Surface Area: 78.1?2

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