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Home> Hot Product Listed B   > BRL 42222
581-46-4 structure

BRL 42222

Iupac Name:3-pyridin-3-ylpyridine
CAS No.:581-46-4
Molecular Weight:156.18392
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1/C10H8N2/c1-3-9(7-11-5-1)10-4-2-6-12-8-10/h1-8H
Canonical Smiles
C1=CC(=CN=C1)C2=CN=CC=C2
Properties
Density
2.334
Boiling Point
379.6°C at 760 mmHg
Refractive Index
1.58
Flash Point
213.5°C
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 581-46-4 EC: BRL 42222 ·ECHA C&L Inventory for CAS: CAS: 581-46-4 EC: BRL 42222
Computational chemical data
  • Molecular Weight:156.18392g/mol
  • Molecular Formula:
  • Exact Mass:156.068748
  • Monoisotopic Mass:156.068748
  • Complexity:120
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:25.8
  • Heavy Atom Count:12
  • 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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