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Home> Hot Product Listed A   > AKOS024435257
1016495-44-5 structure

AKOS024435257

Iupac Name:2-(2-bromoethoxymethyl)oxolane
CAS No.:1016495-44-5
Molecular Weight:209.083
Molecular Formula:C7H7BN4O2 (isomer)
Names and Identifiers
Synonyms

2-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-4,5-diphenyl-1h-imidazole 2-(benzo[d][1,3]dioxol-5-yl)-4,5-diphenyl-1-(p-tolyl)-1h-imidazole AK229480 MCULE-1074507395 ZINC4541712

Inchi
InChI=1S/C7H13BrO2/c8-3-5-9-6-7-2-1-4-10-7/h7H,1-6H2
InChkey
SVWDVYJZNRPALE-UHFFFAOYSA-N
Canonical Smiles
C1CC(OC1)COCCBr
Computational chemical data
  • Molecular Weight:209.083g/mol
  • Molecular Formula:C7H7BN4O2
  • Compound Is Canonicalized:True
  • Exact Mass:208.01
  • Monoisotopic Mass:208.01
  • Complexity:87.7
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:18.5A^2
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBgMAAAEAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgBAAAABSBSggAIAAAAABAAA AAAAAAAAAAAAAAAAAAAAAAABAAIAAAACAAAEAAACAACAIAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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