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Home> Hot Product Listed P   > Pyridazine,3-bromo-6-methyl-, hydrochloride (1:1)
59808-52-5 structure

Pyridazine,3-bromo-6-methyl-, hydrochloride (1:1)

Iupac Name:2-phenylpyrimidin-5-amine
CAS No.:59808-52-5
Molecular Weight:171.203
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

Pyridazine,3-bromo-6-methyl-, monohydrochloride (9CI)

Inchi
InChI=1S/C10H9N3/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-7H,11H2
InChkey
YUPYDSQWLFBBJJ-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)C2=NC=C(C=N2)N
Properties
Boiling Point
320.2°Cat760mmHg
Refractive Index
1.633
Flash Point
287.9°C
Computational chemical data
  • Molecular Weight:171.203g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.5
  • Exact Mass:171.08
  • Monoisotopic Mass:171.08
  • Complexity:146
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:51.8A^2
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBzAAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHAAQAAAADAjBGwQ90JZIEACg AjZnZACCgCkxEqAJ2CAodJiIaKLA2VGUJAhokALIiCcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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