Cas no 7495-20-7 (Methanone,1,2-phenylenebis[[4-(acetyloxy)-3,5-dibromophenyl]- (9CI))

Methanone,1,2-phenylenebis[[4-(acetyloxy)-3,5-dibromophenyl]- (9CI) structure
7495-20-7 structure
Product Name:Methanone,1,2-phenylenebis[[4-(acetyloxy)-3,5-dibromophenyl]- (9CI)
CAS No:7495-20-7
MF:C24H14Br4O6
MW:717.980364322662
CID:576485
PubChem ID:344105
Update Time:2025-04-19

Methanone,1,2-phenylenebis[[4-(acetyloxy)-3,5-dibromophenyl]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Methanone,1,2-phenylenebis[[4-(acetyloxy)-3,5-dibromophenyl]- (9CI)
    • [4-[2-(4-acetyloxy-3,5-dibromobenzoyl)benzoyl]-2,6-dibromophenyl] acetate
    • 1,2-Bis-(4-acetoxy-3,5-dibrom-benzoyl)-benzol
    • 1,2-bis-(4-acetoxy-3,5-dibromo-benzoyl)-benzene
    • AC1L7ZT5
    • NSC400824
    • DTXSID00322274
    • NSC-400824
    • 7495-20-7
    • Inchi: 1S/C24H14Br4O6/c1-11(29)33-23-17(25)7-13(8-18(23)26)21(31)15-5-3-4-6-16(15)22(32)14-9-19(27)24(20(28)10-14)34-12(2)30/h3-10H,1-2H3
    • InChI Key: OHIIRVWTVCHIIQ-UHFFFAOYSA-N
    • SMILES: BrC1C(=C(C=C(C=1)C(C1=CC=CC=C1C(C1C=C(C(=C(C=1)Br)OC(C)=O)Br)=O)=O)Br)OC(C)=O

Computed Properties

  • Exact Mass: 713.75222
  • Monoisotopic Mass: 713.75239g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 8
  • Complexity: 703
  • 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: 6.9
  • Topological Polar Surface Area: 86.7?2

Experimental Properties

  • PSA: 86.74
  • LogP: 7.04920
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