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Home> Encyclopedia > Hot Product Listed 5   > 5,9-Metheno-9H-pyrrolo[3,2-b][1,5,8]oxadiazacyclopentadecine-13,16(1H,12H)-dione,1-[2-(3,4-dimethyl-...
405-42-5 structure

5,9-Metheno-9H-pyrrolo[3,2-b][1,5,8]oxadiazacyclopentadecine-13,16(1H,12H)-dione,1-[2-(3,4-dimethyl-5-oxo-1-imidazolidinyl)-3-methyl-1-oxobutyl]-2,3,3a,14,15,16a-hexahydro-8-methoxy-14-(1-methylpropyl)-(9CI)

Iupac Name:2,2-difluoroethenylbenzene
CAS No.:405-42-5
Molecular Weight:140.133
Molecular Formula:C25H30N2O5 (isomer)
Names and Identifiers
Synonyms

sativanine d SativanineD

Inchi
InChI=1S/C8H6F2/c9-8(10)6-7-4-2-1-3-5-7/h1-6H
InChkey
DPYJMQGTOTVJBV-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)C=C(F)F
Properties
Density
1.62
Flash Point
331.6°C
Computational chemical data
  • Molecular Weight:140.133g/mol
  • Molecular Formula:C25H30N2O5
  • Compound Is Canonicalized:True
  • XLogP3-AA:3
  • Exact Mass:140.044
  • Monoisotopic Mass:140.044
  • Complexity:119
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:10
  • 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: AAADcYBwAYAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGQAAAAAADACAGBAwAIAAAACA AiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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