Cas no 1638768-02-1 (2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid)

2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid structure
1638768-02-1 structure
Product Name:2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
CAS No:1638768-02-1
MF:C7H3Cl2N3O2
MW:232.023618936539
MDL:MFCD27987438
CID:4610294
PubChem ID:118997991
Update Time:2024-11-05

2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
    • 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylicacid
    • SB14143
    • SY233899
    • AKOS027336954
    • CS-0052153
    • 1638768-02-1
    • MFCD27987438
    • AS-52125
    • P14430
    • MDL: MFCD27987438
    • Inchi: 1S/C7H3Cl2N3O2/c8-4-3-2(6(13)14)1-10-5(3)12-7(9)11-4/h1H,(H,13,14)(H,10,11,12)
    • InChI Key: VPWFJCIQVRPJRY-UHFFFAOYSA-N
    • SMILES: ClC1=C2C(C(=O)O)=CNC2=NC(=N1)Cl

Computed Properties

  • Exact Mass: 230.9602317 g/mol
  • Monoisotopic Mass: 230.9602317 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 253
  • 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: 2.1
  • Topological Polar Surface Area: 78.9
  • Molecular Weight: 232.02

Experimental Properties

  • Color/Form: NA
  • Density: 1.9±0.1 g/cm3
  • Flash Point: 172.6±25.1 °C

2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid Security Information

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