Cas no 588676-90-8 (3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic Acid)

3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic Acid structure
588676-90-8 structure
Product Name:3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic Acid
CAS No:588676-90-8
MF:C9H4ClFO2S
MW:230.643263816833
MDL:MFCD03422297
CID:949166
PubChem ID:3798578
Update Time:2025-04-19

3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 3-Chloro-4-fluorobenzo[b]thiophene-2-carboxylic acid
    • 3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic acid
    • 3-chloro-4-fluoro-1-benzothiophene-2-carboxylic acid(SALTDATA: FREE)
    • Benzo[b]thiophene-2-carboxylic acid, 3-chloro-4-fluoro- (9CI)
    • benzo[b]thiophene-2-carboxylic acid, 3-chloro-4-fluoro-
    • MFCD03422297
    • STK415416
    • DB-028771
    • 3-chloro-4-fluorobenzo[b]thiophene-2-carboxylicacid
    • 588676-90-8
    • Z363995698
    • DTXSID00396571
    • AKOS000124856
    • EN300-378476
    • BBL015363
    • VS-04929
    • G19143
    • SCHEMBL4730532
    • 3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic Acid
    • MDL: MFCD03422297
    • Inchi: 1S/C9H4ClFO2S/c10-7-6-4(11)2-1-3-5(6)14-8(7)9(12)13/h1-3H,(H,12,13)
    • InChI Key: RMXOFPIRXDWBGE-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(=O)O)SC2C=CC=C(C=21)F

Computed Properties

  • Exact Mass: 229.96052
  • Monoisotopic Mass: 229.96
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 251
  • 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: 65.5A^2
  • XLogP3: 3.5

Experimental Properties

  • Density: 1.627
  • Boiling Point: 398.2°C at 760 mmHg
  • Flash Point: 194.6°C
  • Refractive Index: 1.692
  • PSA: 37.3
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic Acid Security Information

3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic Acid Pricemore >>

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