Cas no 1305324-74-6 (5-Chloro-2,3-dimethoxyisonicotinic acid)

5-Chloro-2,3-dimethoxyisonicotinic acid structure
1305324-74-6 structure
Product Name:5-Chloro-2,3-dimethoxyisonicotinic acid
CAS No:1305324-74-6
MF:C8H8ClNO4
MW:217.606421470642
MDL:MFCD20487002
CID:2130656
PubChem ID:71299094
Update Time:2024-11-02

5-Chloro-2,3-dimethoxyisonicotinic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Chloro-2,3-dimethoxyisonicotinic acid
    • KM5357
    • 5-Chloro-2,3-dimethoxyisonicotinic acid, AldrichCPR
    • SCHEMBL17371763
    • BS-30610
    • DB-358833
    • 5-chloro-2,3-dimethoxypyridine-4-carboxylic acid
    • CS-0209031
    • 1305324-74-6
    • 5-CHLORO-2,3-DIMETHOXYISONICOTINICACID
    • MFCD20487002
    • MDL: MFCD20487002
    • Inchi: 1S/C8H8ClNO4/c1-13-6-5(8(11)12)4(9)3-10-7(6)14-2/h3H,1-2H3,(H,11,12)
    • InChI Key: UGNGWVBHFYKDCD-UHFFFAOYSA-N
    • SMILES: ClC1=CN=C(C(=C1C(=O)O)OC)OC

Computed Properties

  • Exact Mass: 217.0141854g/mol
  • Monoisotopic Mass: 217.0141854g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 214
  • 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: 68.6
  • XLogP3: 1.3

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