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Home> Hot Product Listed S   > SCHEMBL6826431
4329-12-8 structure

SCHEMBL6826431

Iupac Name:1-chloro-3-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
CAS No.:4329-12-8
Molecular Weight:320.034
Molecular Formula:C16H22N4 (isomer)
Names and Identifiers
Synonyms

2-(2,2,2-trifluoroethoxy)pyrimidine 87014-37-7 F6608-1822 pyrimidine, 2-(2,2,2-trifluoroethoxy)-

Inchi
InChI=1S/C14H10Cl4/c15-11-6-4-9(5-7-11)13(14(17)18)10-2-1-3-12(16)8-10/h1-8,13-14H
InChkey
SMFZKOLFXRQOIX-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC(=C1)Cl)C(C2=CC=C(C=C2)Cl)C(Cl)Cl
Properties
Refractive Index
1.599
Computational chemical data
  • Molecular Weight:320.034g/mol
  • Molecular Formula:C16H22N4
  • Compound Is Canonicalized:True
  • Exact Mass:319.951
  • Monoisotopic Mass:317.954
  • Complexity:248
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Heavy Atom Count:18
  • 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
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