Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> >
1194683-55-0 structure

Iupac Name:5-bromo-2-(2-methoxyphenyl)pyridine
CAS No.:1194683-55-0
Molecular Weight:264.122
Molecular Formula:C5H3CL2N3O (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C12H10BrNO/c1-15-12-5-3-2-4-10(12)11-7-6-9(13)8-14-11/h2-8H,1H3
InChkey
ANGPUYMWRRGPEB-UHFFFAOYSA-N
Canonical Smiles
COC1=CC=CC=C1C2=NC=C(C=C2)Br
Properties
Boiling Point
239.3°C at 760 mmHg
Computational chemical data
  • Molecular Weight:264.122g/mol
  • Molecular Formula:C5H3CL2N3O
  • Compound Is Canonicalized:True
  • Exact Mass:262.995
  • Monoisotopic Mass:262.995
  • Complexity:200
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:22.1A^2
  • Heavy Atom Count:15
  • 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: AAADccByIAAAEAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgBAAAABrAzBngY+hpIIFACg AzRnRACCiCAxIiQI2CA+bLgMJuLEsZuEMChmwBHI6heQwOAOAAAAAAAIAAAAAAAAABAAAAAAAAAA AA==
 
<