Cas no 19312-30-2 (1,3-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester)

1,3-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester structure
19312-30-2 structure
Product Name:1,3-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester
CAS No:19312-30-2
MF:C20H12N2O8
MW:408.317885398865
CID:95578
PubChem ID:12772739
Update Time:2025-04-19

1,3-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester
    • bis(4-nitrophenyl) benzene-1,3-dicarboxylate
    • DTXSID80509501
    • AKOS024390482
    • 19312-30-2
    • SCHEMBL13292702
    • Inchi: 1S/C20H12N2O8/c23-19(29-17-8-4-15(5-9-17)21(25)26)13-2-1-3-14(12-13)20(24)30-18-10-6-16(7-11-18)22(27)28/h1-12H
    • InChI Key: QEAVJAWCTXYMIX-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)[N+](=O)[O-])C(C1C=CC=C(C(=O)OC2C=CC(=CC=2)[N+](=O)[O-])C=1)=O

Computed Properties

  • Exact Mass: 408.05936535g/mol
  • Monoisotopic Mass: 408.05936535g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 6
  • Complexity: 588
  • 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: 4.4
  • Topological Polar Surface Area: 144?2
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