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882856-60-2 | 6-Chloro-2-(trifluoromethyl);-[1,2,4]triazolo[1,5-b]pyridazine
CAS No: 882856-60-2 Catalog No: AG0049IC MDL No:
Product Description
Catalog Number:
AG0049IC
Chemical Name:
6-Chloro-2-(trifluoromethyl);-[1,2,4]triazolo[1,5-b]pyridazine
CAS Number:
882856-60-2
Molecular Formula:
C6H2ClF3N4
Molecular Weight:
222.5551
IUPAC Name:
6-chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-b]pyridazine
InChI:
InChI=1S/C6H2ClF3N4/c7-3-1-2-4-11-5(6(8,9)10)13-14(4)12-3/h1-2H
InChI Key:
NXIUPYMZPSDTDN-UHFFFAOYSA-N
SMILES:
Clc1ccc2n(n1)nc(n2)C(F)(F)F
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.555g/mol
Monoisotopic Mass:
221.992g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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