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Home> Hot Product Listed 4   > 4-Chlorothiophene-2-carboxylic acid
1075715-56-8 structure

4-Chlorothiophene-2-carboxylic acid

Iupac Name:(1S)-1-(2-fluorophenyl)propan-1-amine;hydrochloride
CAS No.:1075715-56-8
Molecular Weight:189.6576232
Molecular Formula:C8H4CLF3N2 (isomer)
Names and Identifiers
Synonyms

4-Chloro-2-thiophenecarboxylic acid

Inchi
InChI=1S/C9H12FN.ClH/c1-2-9(11)7-5-3-4-6-8(7)10;/h3-6,9H,2,11H2,1H3;1H/t9-;/m0./s1
InChkey
VVIJOOJNOZEOGM-FVGYRXGTSA-N
Canonical Smiles
CCC(C1=CC=CC=C1F)N.Cl
Properties
Density
1.31
Flash Point
99 °C
Safety and Handling
Specification

 4-Chlorothiophene-2-carboxylic acid (CAS NO.59614-95-8) is also named as 4-Chloro-2-thiophenecarboxylic acid .

Computational chemical data
  • Molecular Weight:189.6576232g/mol
  • Molecular Formula:C8H4CLF3N2
  • Compound Is Canonicalized:True
  • Exact Mass:189.072
  • Monoisotopic Mass:189.072
  • Complexity:116
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccByAQAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHQAQAAAADCjBGAwyAIBAAACA AiBCAACCAAAgAAAIiIAABIgIICKAkRGAIABgkAAIiAcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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