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Home> Hot Product Listed 8   > 8-Azabicyclo[3.2.1]oct-2-ene-6,7-dicarboxylic acid,8-(5-nitro-2-pyridinyl)-4-oxo-, dimethyl ester, (...
259137-83-2 structure

8-Azabicyclo[3.2.1]oct-2-ene-6,7-dicarboxylic acid,8-(5-nitro-2-pyridinyl)-4-oxo-, dimethyl ester, (6-exo,7-endo)-

Iupac Name:ethyl N-[2-(trifluoromethoxy)phenyl]carbamate
CAS No.:259137-83-2
Molecular Weight:249.189
Molecular Formula:C11H17CLO5 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C10H10F3NO3/c1-2-16-9(15)14-7-5-3-4-6-8(7)17-10(11,12)13/h3-6H,2H2,1H3,(H,14,15)
InChkey
JRLAMFITEFEBRS-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)NC1=CC=CC=C1OC(F)(F)F
Properties
Density
1.107
Computational chemical data
  • Molecular Weight:249.189g/mol
  • Molecular Formula:C11H17CLO5
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.4
  • Exact Mass:249.061
  • Monoisotopic Mass:249.061
  • Complexity:258
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • 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
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