Cas no 1314696-86-0 (2-(3-Fluoro-4-methylphenyl)-2-methylpropanoic acid)

2-(3-Fluoro-4-methylphenyl)-2-methylpropanoic acid structure
1314696-86-0 structure
Product Name:2-(3-Fluoro-4-methylphenyl)-2-methylpropanoic acid
CAS No:1314696-86-0
MF:C11H13FO2
MW:196.218127012253
CID:5737812
PubChem ID:83699002
Update Time:2023-11-10

2-(3-Fluoro-4-methylphenyl)-2-methylpropanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(3-fluoro-4-methylphenyl)-2-methylpropanoic acid
    • 1314696-86-0
    • EN300-1137908
    • 2-(3-fluoro-4-methylphenyl)-2-methylpropanoicacid
    • Benzeneacetic acid, 3-fluoro-α,α,4-trimethyl-
    • 2-(3-Fluoro-4-methylphenyl)-2-methylpropanoic acid
    • Inchi： 1S/C11H13FO2/c1-7-4-5-8(6-9(7)12)11(2,3)10(13)14/h4-6H,1-3H3,(H,13,14)
    • InChI Key： AVZMAWZAVJHQLD-UHFFFAOYSA-N
    • SMILES： FC1=C(C)C=CC(=C1)C(C(=O)O)(C)C

Computed Properties

  • Exact Mass: 196.08995782g/mol
  • Monoisotopic Mass: 196.08995782g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • 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: 2.8
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.145±0.06 g/cm3(Predicted)
  • Boiling Point: 286.8±25.0 °C(Predicted)
  • pka: 4.30±0.11(Predicted)

2-(3-Fluoro-4-methylphenyl)-2-methylpropanoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1137908-1.0g
2-(3-fluoro-4-methylphenyl)-2-methylpropanoic acid
 1314696-86-0
1g
 $0.0 2023-06-09
Enamine
EN300-1137908-0.05g
2-(3-fluoro-4-methylphenyl)-2-methylpropanoic acid
 1314696-86-0 95%
0.05g
 $468.0 2023-10-26
Enamine
EN300-1137908-0.1g
2-(3-fluoro-4-methylphenyl)-2-methylpropanoic acid
 1314696-86-0 95%
0.1g
 $490.0 2023-10-26
Enamine
EN300-1137908-0.25g
2-(3-fluoro-4-methylphenyl)-2-methylpropanoic acid
 1314696-86-0 95%
0.25g
 $513.0 2023-10-26
Enamine
EN300-1137908-0.5g
2-(3-fluoro-4-methylphenyl)-2-methylpropanoic acid
 1314696-86-0 95%
0.5g
 $535.0 2023-10-26
Enamine
EN300-1137908-1g
2-(3-fluoro-4-methylphenyl)-2-methylpropanoic acid
 1314696-86-0 95%
1g
 $557.0 2023-10-26
Enamine
EN300-1137908-2.5g
2-(3-fluoro-4-methylphenyl)-2-methylpropanoic acid
 1314696-86-0 95%
2.5g
 $1089.0 2023-10-26
Enamine
EN300-1137908-5g
2-(3-fluoro-4-methylphenyl)-2-methylpropanoic acid
 1314696-86-0 95%
5g
 $1614.0 2023-10-26
Enamine
EN300-1137908-10g
2-(3-fluoro-4-methylphenyl)-2-methylpropanoic acid
 1314696-86-0 95%
10g
 $2393.0 2023-10-26

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