Cas no 688020-69-1 (ethyl 4-amino-3-(trifluoromethyl)benzoate)

ethyl 4-amino-3-(trifluoromethyl)benzoate structure
688020-69-1 structure
Product Name:ethyl 4-amino-3-(trifluoromethyl)benzoate
CAS No:688020-69-1
MF:C10H10F3NO2
MW:233.187113285065
MDL:MFCD11226325
CID:2108944
PubChem ID:25067387
Update Time:2025-04-21

ethyl 4-amino-3-(trifluoromethyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • ethyl 4-amino-3-(trifluoromethyl)benzoate
    • BENZOIC ACID, 4-AMINO-3-(TRIFLUOROMETHYL)-, ETHYL ESTER
    • 4-amino-3-trifluoromethyl-benzoic acid ethyl ester
    • SB81018
    • ethyl 4-amino-3-trifluoromethyl-benzoate
    • CS-0127669
    • DA-03597
    • 688020-69-1
    • SCHEMBL3311471
    • AS-69938
    • AKOS027254848
    • ethyl4-amino-3-(trifluoromethyl)benzoate
    • 4-Amino-3-(trifluoromethyl)benzoic acid ethyl ester
    • EN300-11718307
    • MDL: MFCD11226325
    • Inchi: 1S/C10H10F3NO2/c1-2-16-9(15)6-3-4-8(14)7(5-6)10(11,12)13/h3-5H,2,14H2,1H3
    • InChI Key: VWPNIUJAKBOMJD-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C(=O)OCC)C=CC=1N)(F)F

Computed Properties

  • Exact Mass: 233.06600
  • Monoisotopic Mass: 233.066
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 255
  • 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
  • Topological Polar Surface Area: 52.3A^2
  • XLogP3: 2.3

Experimental Properties

  • PSA: 52.32000
  • LogP: 3.04550

ethyl 4-amino-3-(trifluoromethyl)benzoate Pricemore >>

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