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Home> Encyclopedia > Hot Product Listed 5   > 5,8-Ethanocycloocta[c]furan(8CI,9CI)
951627-69-3 structure

5,8-Ethanocycloocta[c]furan(8CI,9CI)

Iupac Name:4-nitro-2-(trifluoromethyl)pyridine
CAS No.:951627-69-3
Molecular Weight:192.097
Molecular Formula:C7H12O (isomer)
Names and Identifiers
Synonyms

5,8-Ethenocycloocta[c]furan,10,11-dihydro-

Inchi
InChI=1S/C6H3F3N2O2/c7-6(8,9)5-3-4(11(12)13)1-2-10-5/h1-3H
InChkey
OWICTKSPALFYDS-UHFFFAOYSA-N
Canonical Smiles
C1=CN=C(C=C1[N+](=O)[O-])C(F)(F)F
Properties
Density
1.385
Boiling Point
970.8°C at 760 mmHg
Computational chemical data
  • Molecular Weight:192.097g/mol
  • Molecular Formula:C7H12O
  • Compound Is Canonicalized:True
  • Exact Mass:192.015
  • Monoisotopic Mass:192.015
  • Complexity:201
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:58.7A^2
  • Heavy Atom Count:13
  • 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: AAADcQBjMYAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHQAEAAAACAjBFhQ8wJIYUACh ATRnRwCCgCAxAiAo2CA4ZJoIIGLA0dGEJAhggADIyAcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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