Cas no 171820-04-5 (H2bcpb)

H2bcpb structure
H2bcpb structure
Product Name:H2bcpb
CAS No:171820-04-5
MF:C18H12N2O4
MW:320.29900
CID:905567
PubChem ID:44308079
Update Time:2024-11-08

H2bcpb Chemical and Physical Properties

Names and Identifiers

    • 4,6-Di(4-carboxyphenyl)pyrimidine
    • 1H-3,5-bis(3-pyridyl)-1,2,4-triazole
    • 3,3'-(1H-[1,2,4]triazole-3,5-diyl)-bis-pyridine
    • 3,5-bis(3-pyridyl)-1H-1,2,4-triazole
    • 3,5-bis(4'-carboxyphenyl)pyridine
    • 3,5-di(3-pyridyl)-1H-1,2,4-triazole
    • 3,5-di(pyridin-3-yl)-1,2,4-triazole
    • pyridine-3,5-bis(phenyl-4-carboxylic acid)
    • Benzoic acid, 4,4'-(3,5-pyridinediyl)bis-
    • H2bcpb
    • CHEMBL66745
    • BS-50511
    • SCHEMBL17254443
    • 4,4'-(Pyridine-3,5-diyl)dibenzoicacid
    • F73379
    • CS-0169883
    • 4,4'-(Pyridine-3,5-diyl)dibenzoic acid
    • 4-[5-(4-carboxyphenyl)pyridin-3-yl]benzoic acid
    • 171820-04-5
    • Inchi: InChI=1S/C19H13NO4/c21-18(22)14-5-1-12(2-6-14)16-9-17(11-20-10-16)13-3-7-15(8-4-13)19(23)24/h1-11H,(H,21,22)(H,23,24)
    • InChI Key: NAHCDCCKLFXYIF-UHFFFAOYSA-N
    • SMILES: C1=CC(=CC=C1C2=CC(=CN=C2)C3=CC=C(C=C3)C(=O)O)C(=O)O

Computed Properties

  • Exact Mass: 320.08000
  • Monoisotopic Mass: 319.08445790g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 414
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.6
  • Topological Polar Surface Area: 87.5?2

Experimental Properties

  • PSA: 100.38000
  • LogP: 3.20700

H2bcpb Pricemore >>

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