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Home> Encyclopedia > Hot Product Listed 5   > 5H-1,3-Dioxolo[4,5-f]isoindol-5-one,6-(3-chlorophenyl)-6,7-dihydro-
957003-01-9 structure

5H-1,3-Dioxolo[4,5-f]isoindol-5-one,6-(3-chlorophenyl)-6,7-dihydro-

Iupac Name:6-(3,5-dimethylpyrazol-1-yl)-7-phenyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
CAS No.:957003-01-9
Molecular Weight:366.428
Molecular Formula:C10H16N2O2 (isomer)
Names and Identifiers
Synonyms

(2,2-diphenyl-1,3-dioxolan-4-yl)methyl n-phenylcarbamate (2,2-diphenyl-1,3-dioxolan-4-yl)methyl phenylcarbamate AC1L5WTO AC1Q669H CHEMBL1700007 CTK4J1825 DTXSID60284804 HE258237 HE258238 HMS3088E13 mls002608140 nsc39110 nsc-39110 Phthalimidine,2-(m-chlorophenyl)-5,6-(methylenedioxy)- (7CI,8CI) smr001526891

Inchi
InChI=1S/C22H18N6/c1-15-12-16(2)27(26-15)20-14-24-22-18(19-10-6-7-11-23-19)13-25-28(22)21(20)17-8-4-3-5-9-17/h3-14H,1-2H3
InChkey
UTRZJRNAXAJSLK-UHFFFAOYSA-N
Canonical Smiles
CC1=CC(=NN1C2=C(N3C(=C(C=N3)C4=CC=CC=N4)N=C2)C5=CC=CC=C5)C
Properties
Boiling Point
621.2°C at 760 mmHg
Flash Point
332.8°C
Computational chemical data
  • Molecular Weight:366.428g/mol
  • Molecular Formula:C10H16N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:366.159
  • Monoisotopic Mass:366.159
  • Complexity:523
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:28
  • 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
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