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Home> Hot Product Listed 3   > 3-(3-(chloromethyl)-4-(pyridin-4-yl)phenyl)pyridine
124942-04-7 structure

3-(3-(chloromethyl)-4-(pyridin-4-yl)phenyl)pyridine

Iupac Name:2-(1H-benzimidazol-2-yloxy)ethanol
CAS No.:124942-04-7
Molecular Weight:178.191
Molecular Formula:C13H10F3N (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C9H10N2O2/c12-5-6-13-9-10-7-3-1-2-4-8(7)11-9/h1-4,12H,5-6H2,(H,10,11)
InChkey
MWQCNDKZIMEIMB-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)NC(=N2)OCCO
Properties
Vapour
1.52E-06mmHg at 25°C
Refractive Index
1.665
Computational chemical data
  • Molecular Weight:178.191g/mol
  • Molecular Formula:C13H10F3N
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.9
  • Exact Mass:178.074
  • Monoisotopic Mass:178.074
  • Complexity:166
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • 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
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