Cas no 847729-56-0 (BENZOIC ACID, 5-CHLORO-2-(3-FLUOROPHENOXY)-, METHYL ESTER)

BENZOIC ACID, 5-CHLORO-2-(3-FLUOROPHENOXY)-, METHYL ESTER structure
847729-56-0 structure
Product Name:BENZOIC ACID, 5-CHLORO-2-(3-FLUOROPHENOXY)-, METHYL ESTER
CAS No:847729-56-0
MF:C14H10ClFO3
MW:280.678806781769
CID:3389756
PubChem ID:57572274
Update Time:2025-04-21

BENZOIC ACID, 5-CHLORO-2-(3-FLUOROPHENOXY)-, METHYL ESTER Chemical and Physical Properties

Names and Identifiers

    • BENZOIC ACID, 5-CHLORO-2-(3-FLUOROPHENOXY)-, METHYL ESTER
    • DTXSID201198731
    • 847729-56-0
    • SCHEMBL4446808
    • LNFHPGVBPMYQBP-UHFFFAOYSA-N
    • Methyl 5-chloro-2-(3-fluorophenoxy)benzoate
    • Inchi: 1S/C14H10ClFO3/c1-18-14(17)12-7-9(15)5-6-13(12)19-11-4-2-3-10(16)8-11/h2-8H,1H3
    • InChI Key: LNFHPGVBPMYQBP-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=C(C(=O)OC)C=1)OC1C=CC=C(C=1)F

Computed Properties

  • Exact Mass: 280.0302500Da
  • Monoisotopic Mass: 280.0302500Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 313
  • 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: 4.1
  • Topological Polar Surface Area: 35.5?2
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