Cas no 5798-76-5 (phenyl 4-bromobenzoate)

phenyl 4-bromobenzoate structure
phenyl 4-bromobenzoate structure
Product Name:phenyl 4-bromobenzoate
CAS No:5798-76-5
MF:C13H9BrO2
MW:277.113363027573
CID:1607799
PubChem ID:530840
Update Time:2025-04-21

phenyl 4-bromobenzoate Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-bromo-, phenyl ester
    • phenyl 4-bromobenzoate
    • Q27266506
    • 76ROC0290F
    • DTXSID40206706
    • F3098-8377
    • Phenyl p-bromobenzoate
    • 4-Bromobenzoic acid phenyl ester [MI]
    • Benzoic acid, p-bromo-, phenyl ester
    • 4-Bromobenzoic acid, phenyl ester
    • 4-Bromo-benzoic acid phenyl ester
    • AKOS000672892
    • 5798-76-5
    • STL456073
    • SCHEMBL105134
    • UNII-76ROC0290F
    • Inchi: 1S/C13H9BrO2/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h1-9H
    • InChI Key: GKOPHSXEQSIHQE-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(C(=O)OC2C=CC=CC=2)=CC=1

Computed Properties

  • Exact Mass: 275.97857
  • Monoisotopic Mass: 275.97859g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 228
  • 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: 4.3
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

phenyl 4-bromobenzoate Pricemore >>

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