Cas no 139670-04-5 (5-Thiazolecarboxylic acid, 2-bromo-4-chloro-)

5-Thiazolecarboxylic acid, 2-bromo-4-chloro- structure
139670-04-5 structure
Product Name:5-Thiazolecarboxylic acid, 2-bromo-4-chloro-
CAS No:139670-04-5
MF:C4HBrClNO2S
MW:242.478237867355
MDL:MFCD28041028
CID:1289623
PubChem ID:15141965
Update Time:2024-11-04

5-Thiazolecarboxylic acid, 2-bromo-4-chloro- Chemical and Physical Properties

Names and Identifiers

    • 5-Thiazolecarboxylic acid, 2-bromo-4-chloro-
    • 2-Bromo-4-chlorothiazole-5-carboxylic acid
    • 2-BROMO-4-CHLORO-1,3-THIAZOLE-5-CARBOXYLIC ACID
    • Y10484
    • 139670-04-5
    • AKOS024260162
    • CS-0173260
    • AS-66241
    • 2-Bromo-4-chlorothiazole-5-carboxylicacid
    • MFCD28041028
    • 5-Thiazolecarboxylic acid, 2-bromo-4-chloro-;2-Bromo-4-chlorothiazole-5-carboxylic acid
    • A885963
    • DB-203055
    • MDL: MFCD28041028
    • Inchi: 1S/C4HBrClNO2S/c5-4-7-2(6)1(10-4)3(8)9/h(H,8,9)
    • InChI Key: CMYDZKFYXFXGBZ-UHFFFAOYSA-N
    • SMILES: BrC1=NC(=C(C(=O)O)S1)Cl

Computed Properties

  • Exact Mass: 240.86003
  • Monoisotopic Mass: 240.85999g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 158
  • 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: 2.8
  • Topological Polar Surface Area: 78.4?2

Experimental Properties

  • PSA: 50.19

5-Thiazolecarboxylic acid, 2-bromo-4-chloro- Pricemore >>

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