Cas no 106727-86-0 (1,2-Benzenedicarboxylic acid, 4,5-dichloro-, dimethyl ester)

1,2-Benzenedicarboxylic acid, 4,5-dichloro-, dimethyl ester structure
106727-86-0 structure
Product Name:1,2-Benzenedicarboxylic acid, 4,5-dichloro-, dimethyl ester
CAS No:106727-86-0
MF:C10H8Cl2O4
MW:263.07412147522
MDL:MFCD18206198
CID:1184070
PubChem ID:10635247
Update Time:2025-04-20

1,2-Benzenedicarboxylic acid, 4,5-dichloro-, dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenedicarboxylic acid, 4,5-dichloro-, dimethyl ester
    • 4,5-dichlorophthalic acid dimethyl ester
    • dimethyl 4,5-dichlorophthalate
    • dimethyl4,5-dichlorophthalate
    • Dimethyl 4,5-dichlorobenzene-1,2-dicarboxylate
    • KTVZUWJEGZEEEL-UHFFFAOYSA-N
    • 106727-86-0
    • AB11163
    • DTXSID601334688
    • SCHEMBL1953848
    • DA-34801
    • MFCD18206198
    • MDL： MFCD18206198
    • Inchi： 1S/C10H8Cl2O4/c1-15-9(13)5-3-7(11)8(12)4-6(5)10(14)16-2/h3-4H,1-2H3
    • InChI Key： KTVZUWJEGZEEEL-UHFFFAOYSA-N
    • SMILES： ClC1C(=CC(C(=O)OC)=C(C(=O)OC)C=1)Cl

Computed Properties

  • Exact Mass: 261.98004
  • Monoisotopic Mass: 261.9799641g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 254
  • 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: 2.9
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6

1,2-Benzenedicarboxylic acid, 4,5-dichloro-, dimethyl ester Pricemore >>

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