Cas no 1261894-91-0 (3-(3-Methoxycarbonylphenyl)-5-trifluoromethylbenzoic acid)

3-(3-Methoxycarbonylphenyl)-5-trifluoromethylbenzoic acid structure
1261894-91-0 structure
Product Name:3-(3-Methoxycarbonylphenyl)-5-trifluoromethylbenzoic acid
CAS No:1261894-91-0
MF:C16H11F3O4
MW:324.251355409622
MDL:MFCD18321219
CID:2761839
PubChem ID:53227109
Update Time:2025-04-21

3-(3-Methoxycarbonylphenyl)-5-trifluoromethylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 1261894-91-0
    • 3'-(Methoxycarbonyl)-5-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
    • DTXSID90690696
    • 3-(3-Methoxycarbonylphenyl)-5-trifluoromethylbenzoic acid, 95%
    • 3-(3-METHOXYCARBONYLPHENYL)-5-TRIFLUOROMETHYLBENZOIC ACID
    • MFCD18321219
    • 3-(3-Methoxycarbonylphenyl)-5-trifluoromethylbenzoic acid
    • MDL: MFCD18321219
    • Inchi: 1S/C16H11F3O4/c1-23-15(22)10-4-2-3-9(5-10)11-6-12(14(20)21)8-13(7-11)16(17,18)19/h2-8H,1H3,(H,20,21)
    • InChI Key: VHAAMRMRHPVFAZ-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C(=O)O)C=C(C=1)C1C=CC=C(C(=O)OC)C=1)(F)F

Computed Properties

  • Exact Mass: 324.06094331Da
  • Monoisotopic Mass: 324.06094331Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 449
  • 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: 3.8
  • Topological Polar Surface Area: 63.6?2

3-(3-Methoxycarbonylphenyl)-5-trifluoromethylbenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB328437-5g
3-(3-Methoxycarbonylphenyl)-5-trifluoromethylbenzoic acid, 95%; .
1261894-91-0 95%
5g
€1159.00 2024-06-08
abcr
AB328437-5 g
3-(3-Methoxycarbonylphenyl)-5-trifluoromethylbenzoic acid, 95%; .
1261894-91-0 95%
5g
€1159.00 2023-04-26
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