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Home> Hot Product Listed T   > T6442967
70375-79-0 structure

T6442967

Iupac Name:methyl 1,5-diphenylpyrazole-3-carboxylate
CAS No.:70375-79-0
Molecular Weight:278.311
Molecular Formula:C14H13CLN2O2 (isomer)
Names and Identifiers
Synonyms

MCULE-8748443663 MOLPORT-009-306-586 n-(pyridin-3-yl)-3-(pyridine-3-sulfonamido)propanamide Z394779700 ZINC40090988

Inchi
InChI=1S/C17H14N2O2/c1-21-17(20)15-12-16(13-8-4-2-5-9-13)19(18-15)14-10-6-3-7-11-14/h2-12H,1H3
InChkey
XDUCEEQKAOPMAY-UHFFFAOYSA-N
Canonical Smiles
COC(=O)C1=NN(C(=C1)C2=CC=CC=C2)C3=CC=CC=C3
Properties
Refractive Index
1.604
Computational chemical data
  • Molecular Weight:278.311g/mol
  • Molecular Formula:C14H13CLN2O2
  • Compound Is Canonicalized:True
  • Exact Mass:278.106
  • Monoisotopic Mass:278.106
  • Complexity:349
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:44.1A^2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccB7MAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAIAAAADAiBngIyyJIIBACq AyTyTASSBCAnAgAYmCGwbNgKJvLA9dmFtQhkyAHI6Ye8yLCOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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