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Home> Hot Product Listed F   > F5037-1450
103994-00-9 structure

F5037-1450

CAS No.:103994-00-9
Molecular Weight:230.13208
Molecular Formula:C16H19BRN4O3 (isomer)
Names and Identifiers
Synonyms

AKOS024493139 MCULE-6976858065 MOLPORT-009-723-146 n-(2-((3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy)ethyl)-5-methylisoxazole-3-carboxamide VU0632145-1 ZINC42379821

Inchi
InChI=1/C8H16ClNO2.ClH/c1-3-10(5-4-9)6-7-12-8(2)11;/h3-7H2,1-2H3;1H
Canonical Smiles
CCN(CCOC(=O)C)CCCl.Cl
Properties
Vapour
0.135mmHg at 25°C
Safety and Handling
Safety Statements
RIDADR UN 2811 6.1/PG 2 WGK Germany 3 RTECS CM9620000
Transport
UN 2811 6.1/PG 2
Computational chemical data
  • Molecular Weight:230.13208g/mol
  • Molecular Formula:C16H19BRN4O3
  • Exact Mass:229.063634
  • Monoisotopic Mass:229.063634
  • Complexity:130
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:29.5
  • 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:2
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