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Home> Hot Product Listed 1   > 1,2-Dihydro-2-(5-nitro-2-thienyl)quinazolin-4(3H)-one
1086600-36-3 structure

1,2-Dihydro-2-(5-nitro-2-thienyl)quinazolin-4(3H)-one

Iupac Name:tert-butyl N-[2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]carbamate
CAS No.:1086600-36-3
Molecular Weight:347.262
Molecular Formula:C18H23NO3 (isomer)
Names and Identifiers
Synonyms

1,2-DIHYDRO-2-(5-NITRO-2-THIENYL)QUINAZOLINE-4-ONE

Inchi
InChI=1S/C19H30BNO4/c1-17(2,3)23-16(22)21-13-12-14-10-8-9-11-15(14)20-24-18(4,5)19(6,7)25-20/h8-11H,12-13H2,1-7H3,(H,21,22)
InChkey
WADCCZWZIKUZGB-UHFFFAOYSA-N
Canonical Smiles
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CCNC(=O)OC(C)(C)C
Properties
Density
1.46
Boiling Point
530.834 °C at 760 mmHg
Computational chemical data
  • Molecular Weight:347.262g/mol
  • Molecular Formula:C18H23NO3
  • Compound Is Canonicalized:True
  • Exact Mass:347.227
  • Monoisotopic Mass:347.227
  • Complexity:457
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:56.8A^2
  • Heavy Atom Count:25
  • 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: AAADceJ6OAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABAAAoHgAQAAAADETBmAQyCILABACI AiBCGAACAAAgAAAIiIAIAIkJICKAkRGMIAAglgAIiAcQgIAOgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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