Cas no 155167-42-3 (Benzo[b]thiophene-2-carboxylicacid, 4,5,6,7-tetrafluoro-, methyl ester)

Benzo[b]thiophene-2-carboxylicacid, 4,5,6,7-tetrafluoro-, methyl ester structure
155167-42-3 structure
Product Name:Benzo[b]thiophene-2-carboxylicacid, 4,5,6,7-tetrafluoro-, methyl ester
CAS No:155167-42-3
MF:C10H4F4O2S
MW:264.196175575256
CID:106880
PubChem ID:15215848
Update Time:2025-04-18

Benzo[b]thiophene-2-carboxylicacid, 4,5,6,7-tetrafluoro-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzo[b]thiophene-2-carboxylicacid, 4,5,6,7-tetrafluoro-, methyl ester
    • Methyl 4,5,6,7-tetrafluoro-1-benzothiophene-2-carboxylate
    • 4,5,6,7-TETRAFLUORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
    • AG-E-03349
    • AGN-PC-0046OA
    • CTK4C8559
    • methyl 4,5,6,7-tetrafluorobenzo< b> thiophen-2-carboxylate
    • DTXSID20570139
    • 155167-42-3
    • Inchi： 1S/C10H4F4O2S/c1-16-10(15)4-2-3-5(11)6(12)7(13)8(14)9(3)17-4/h2H,1H3
    • InChI Key： GASHSXKOOYCGAF-UHFFFAOYSA-N
    • SMILES： S1C(C(=O)OC)=CC2C(=C(C(=C(C1=2)F)F)F)F

Computed Properties

  • Exact Mass: 263.98682
  • Monoisotopic Mass: 263.98681319g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 317
  • 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: 3.5
  • Topological Polar Surface Area: 54.5?2

Experimental Properties

  • Density: 1.574
  • Boiling Point: 310.6°C at 760 mmHg
  • Flash Point: 141.7°C
  • Refractive Index: 1.559
  • PSA: 26.3

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