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Home> Hot Product Listed 3   > 3-(3,5-dimethyl-1h-pyrazol-1-yl)-5-methyl-4h-1,2,4-triazol-4-amine
75852-50-5 structure

3-(3,5-dimethyl-1h-pyrazol-1-yl)-5-methyl-4h-1,2,4-triazol-4-amine

Iupac Name:2-[3-(4-chlorophenyl)phenyl]acetic acid
CAS No.:75852-50-5
Molecular Weight:246.69
Molecular Formula:C22H24O4 (isomer)
Names and Identifiers
Synonyms

26690P 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-amine 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-amine hydrochloride AKOS000416142 CHEMBL1547632 F0897-0123 MCULE-6175949334 MLS000047886 MOLPORT-000-643-073 smr000033886

Inchi
InChI=1S/C14H11ClO2/c15-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-14(16)17/h1-8H,9H2,(H,16,17)
InChkey
CEPDBVZDEVXUID-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC(=C1)CC(=O)O)C2=CC=C(C=C2)Cl
Properties
Refractive Index
1.604
Computational chemical data
  • Molecular Weight:246.69g/mol
  • Molecular Formula:C22H24O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.7
  • Exact Mass:246.045
  • Monoisotopic Mass:246.045
  • Complexity:259
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:17
  • 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: AAADccBwMAAEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgIACAAADAKAmCAwCIAAAgCI AiDSCAACAAAgBQAIiAEAAogIIDKBFxCAYAAkwAEIiAeIyPCOhAACAAAAAAAIAAQAAAAAAAAAAAAA AA==
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