Cas no 773869-46-8 (5-Chloro-2,3-difluoro-4-methylbenzoic acid)

5-Chloro-2,3-difluoro-4-methylbenzoic acid structure
773869-46-8 structure
Product Name:5-Chloro-2,3-difluoro-4-methylbenzoic acid
CAS No:773869-46-8
MF:C8H5ClF2O2
MW:206.573908567429
MDL:MFCD03701034
CID:1029265
PubChem ID:40423742
Update Time:2025-04-20

5-Chloro-2,3-difluoro-4-methylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Chloro-2,3-difluoro-4-methylbenzoic acid
    • 773869-46-8
    • MFCD03701034
    • JS-5130
    • SCHEMBL2925916
    • 5-Chloro-2,3-difluoro-4-methylbenzoicacid
    • AKOS022171833
    • DTXSID30654090
    • YFB86946
    • 4-Carboxy-6-chloro-2,3-difluorotoluene, 5-Chloro-2,3-difluoro-p-toluic acid
    • MDL： MFCD03701034
    • Inchi： 1S/C8H5ClF2O2/c1-3-5(9)2-4(8(12)13)7(11)6(3)10/h2H,1H3,(H,12,13)
    • InChI Key： XNUGHWYSXYFWKR-UHFFFAOYSA-N
    • SMILES： ClC1=CC(C(=O)O)=C(C(=C1C)F)F

Computed Properties

  • Exact Mass: 205.9946134g/mol
  • Monoisotopic Mass: 205.9946134g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 212
  • 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: 2.6
  • Topological Polar Surface Area: 37.3?2

5-Chloro-2,3-difluoro-4-methylbenzoic acid Security Information

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abcr
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