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Home> Hot Product Listed P   > Phenol,2,4-dichloro-6-[[4,5-dichloro-3-nitro-1-(2,3,3-triiodo-2-propenyl)-1H-pyrrol-2-yl]methyl]-
182-55-8 structure

Phenol,2,4-dichloro-6-[[4,5-dichloro-3-nitro-1-(2,3,3-triiodo-2-propenyl)-1H-pyrrol-2-yl]methyl]-

Iupac Name:spiro[1,3-benzodioxole-2,1'-cyclohexane]
CAS No.:182-55-8
Molecular Weight:190.242
Molecular Formula:C23H19N5O2S2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C12H14O2/c1-4-8-12(9-5-1)13-10-6-2-3-7-11(10)14-12/h2-3,6-7H,1,4-5,8-9H2
InChkey
SPXULWFZNXFRHI-UHFFFAOYSA-N
Canonical Smiles
C1CCC2(CC1)OC3=CC=CC=C3O2
Properties
Vapour
0.00506mmHg at 25°C
Refractive Index
1.573
Reach Info
Computational chemical data
  • Molecular Weight:190.242g/mol
  • Molecular Formula:C23H19N5O2S2
  • Compound Is Canonicalized:True
  • Exact Mass:190.099
  • Monoisotopic Mass:190.099
  • Complexity:192
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:18.5A^2
  • Heavy Atom Count:14
  • 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: AAADccBwMAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAEgBAAAAGgAAAAAACASAkAAwDoAABACA ACBCAAACCAAgIAAIiAAGiIgdJiKEMRqiOCKkwBEOqAeAQAAAAAAAAAAAQAAAAAAAAACAAAAAAAAA AA==
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