Cas no 914916-98-6 (6-amino-5-chloropyrimidine-4-carboxylic acid)

6-amino-5-chloropyrimidine-4-carboxylic acid structure
914916-98-6 structure
Product Name:6-amino-5-chloropyrimidine-4-carboxylic acid
CAS No:914916-98-6
MF:C5H4ClN3O2
MW:173.557159423828
MDL:MFCD12923334
CID:844552
PubChem ID:57345861
Update Time:2024-10-26

6-amino-5-chloropyrimidine-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 6-Amino-5-chloro-4-pyrimidinecarboxylic acid
    • 4-Pyrimidinecarboxylic acid, 6-amino-5-chloro-
    • 6-amino-5-chloropyrimidine-4-carboxylic acid
    • FCH1155089
    • ST2412173
    • AX8215190
    • W9478
    • 6-Amino-5-chloro-4-pyrimidinecarboxylic acid (ACI)
    • C5H4ClN3O2
    • SCHEMBL13472445
    • CS-0006082
    • SB57735
    • AS-18609
    • 914916-98-6
    • DB-021116
    • 6-Amino-5-chloro-4-pyrimidinecarboxylicacid
    • DTXSID40720992
    • AKOS015919662
    • MDL: MFCD12923334
    • Inchi: 1S/C5H4ClN3O2/c6-2-3(5(10)11)8-1-9-4(2)7/h1H,(H,10,11)(H2,7,8,9)
    • InChI Key: XIEDAMQXYCHOHG-UHFFFAOYSA-N
    • SMILES: O=C(C1C(Cl)=C(N)N=CN=1)O

Computed Properties

  • Exact Mass: 172.9992041g/mol
  • Monoisotopic Mass: 172.9992041g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 166
  • 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: 89.1
  • XLogP3: 0.3

Experimental Properties

  • Density: 1.690

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