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Home> Encyclopedia > Hot Product Listed 2   > 2H-Azirine,2,2-dimethyl-3-phenyl-
956741-73-4 structure

2H-Azirine,2,2-dimethyl-3-phenyl-

Iupac Name:tert-butyl 4-[5-(2,4-dichlorophenyl)-1-(4-methoxybenzoyl)pyrazol-3-yl]piperidine-1-carboxylate
CAS No.:956741-73-4
Molecular Weight:530.446
Molecular Formula:C42H24CL4N6NA4O18S4 (isomer)
Names and Identifiers
Synonyms

2,2-dimethyl-3-phenyl-2h-azirene 2,2-dimethyl-3-phenyl-2h-azirine 2,2-dimethyl-3-phenylazirine 2h-azirine, 2,2-dimethyl-3-phenyl- 2-Phenyl-3,3-dimethylazirine 3,3-Dimethyl-2-phenylazirine 3-Phenyl-2,2-dimethyl-2H-azirine AC1L7CGE DTXSID80308778 FRGAJCJAEQEGQB-UHFFFAOYSA-N HE121862 NSC 208905 nsc208905 nsc-208905 SCHEMBL11092587 ZINC1743835

Inchi
InChI=1S/C27H29Cl2N3O4/c1-27(2,3)36-26(34)31-13-11-17(12-14-31)23-16-24(21-10-7-19(28)15-22(21)29)32(30-23)25(33)18-5-8-20(35-4)9-6-18/h5-10,15-17H,11-14H2,1-4H3
InChkey
CLBSBMWRDYDOBV-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)OC(=O)N1CCC(CC1)C2=NN(C(=C2)C3=C(C=C(C=C3)Cl)Cl)C(=O)C4=CC=C(C=C4)OC
Properties
Density
1.22
Boiling Point
176-177 °C(lit.)
Flash Point
111.4°C
Computational chemical data
  • Molecular Weight:530.446g/mol
  • Molecular Formula:C42H24CL4N6NA4O18S4
  • Compound Is Canonicalized:True
  • Exact Mass:529.154
  • Monoisotopic Mass:529.154
  • Complexity:763
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:36
  • 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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