Cas no 1781928-28-6 (5-Bromo-3-(2,2-dimethylpropyl)thiophene-2-carboxylic acid)

5-Bromo-3-(2,2-dimethylpropyl)thiophene-2-carboxylic acid structure
1781928-28-6 structure
Product Name:5-Bromo-3-(2,2-dimethylpropyl)thiophene-2-carboxylic acid
CAS No:1781928-28-6
MF:C10H13BrO2S
MW:277.178021192551
CID:5746333
PubChem ID:84019637
Update Time:2023-11-11

5-Bromo-3-(2,2-dimethylpropyl)thiophene-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-3-(2,2-dimethylpropyl)thiophene-2-carboxylicacid
    • 1781928-28-6
    • EN300-716611
    • 5-Bromo-3-(2,2-dimethylpropyl)thiophene-2-carboxylic acid
    • CID 84019637
    • 2-Thiophenecarboxylic acid, 5-bromo-3-(2,2-dimethylpropyl)-
    • Inchi： 1S/C10H13BrO2S/c1-10(2,3)5-6-4-7(11)14-8(6)9(12)13/h4H,5H2,1-3H3,(H,12,13)
    • InChI Key： DPCPXWAKXXCGSF-UHFFFAOYSA-N
    • SMILES： BrC1=CC(=C(C(=O)O)S1)CC(C)(C)C

Computed Properties

  • Exact Mass: 275.98196g/mol
  • Monoisotopic Mass: 275.98196g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 225
  • 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: 4.5
  • Topological Polar Surface Area: 65.5?2

Experimental Properties

  • Density: 1.458±0.06 g/cm3(Predicted)
  • Boiling Point: 344.5±42.0 °C(Predicted)
  • pka: 3.49±0.10(Predicted)

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-716611-0.05g
5-bromo-3-(2,2-dimethylpropyl)thiophene-2-carboxylic acid
 1781928-28-6
0.05g
 $912.0 2023-05-24
Enamine
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5-bromo-3-(2,2-dimethylpropyl)thiophene-2-carboxylic acid
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Enamine
EN300-716611-0.5g
5-bromo-3-(2,2-dimethylpropyl)thiophene-2-carboxylic acid
 1781928-28-6
0.5g
 $1043.0 2023-05-24
Enamine
EN300-716611-1.0g
5-bromo-3-(2,2-dimethylpropyl)thiophene-2-carboxylic acid
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Enamine
EN300-716611-2.5g
5-bromo-3-(2,2-dimethylpropyl)thiophene-2-carboxylic acid
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Enamine
EN300-716611-5.0g
5-bromo-3-(2,2-dimethylpropyl)thiophene-2-carboxylic acid
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 $3147.0 2023-05-24
Enamine
EN300-716611-10.0g
5-bromo-3-(2,2-dimethylpropyl)thiophene-2-carboxylic acid
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