Cas no 1160574-52-6 (methyl 3-bromo-4-chloro-5-methylbenzoate)

methyl 3-bromo-4-chloro-5-methylbenzoate structure
1160574-52-6 structure
Product Name:methyl 3-bromo-4-chloro-5-methylbenzoate
CAS No:1160574-52-6
MF:C9H8BrClO2
MW:263.515621185303
MDL:MFCD11846081
CID:4574288
PubChem ID:50997972
Update Time:2024-03-01

methyl 3-bromo-4-chloro-5-methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-Bromo-4-chloro-5-methylbenzoate
    • Benzoic acid, 3-bromo-4-chloro-5-methyl-, methyl ester
    • methyl 3-bromo-4-chloro-5-methylbenzoate
    • MDL: MFCD11846081
    • Inchi: 1S/C9H8BrClO2/c1-5-3-6(9(12)13-2)4-7(10)8(5)11/h3-4H,1-2H3
    • InChI Key: UQDVXCOKMBZFBT-UHFFFAOYSA-N
    • SMILES: C(OC)(=O)C1=CC(C)=C(Cl)C(Br)=C1

Computed Properties

  • Exact Mass: 261.93962g/mol
  • Monoisotopic Mass: 261.93962g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 198
  • 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: 3.5
  • Topological Polar Surface Area: 26.3?2

methyl 3-bromo-4-chloro-5-methylbenzoate Pricemore >>

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