8-chloro-3-(3-fluoro-4-methoxyphenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-(3-fluoro-4-methoxyphenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

CAS: 2085690-41-9

Formula: C14H8ClF4N3O

SMILES: COC1=C(F)C=C(C=C1)C1=NN=C2N1C=C(C=C2Cl)C(F)(F)F

IUPAC: 8-chloro-3-(3-fluoro-4-methoxyphenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

InChI: InChI=1S/C14H8ClF4N3O/c1-23-11-3-2-7(4-10(11)16)12-20-21-13-9(15)5-8(6-22(12)13)14(17,18)19/h2-6H,1H3

Composition: C (48.64%), H (2.33%), Cl (10.26%), F (21.98%), N (12.16%), O (4.63%)

Molar Mass: 345.68

Atom Count: 31

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	345.0292022
Formal Charge	0
FSP3	0.14
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	JJIYBSNRASFRER-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.71
Topological Polar Surface Area	39.42
Polarizability	28.11
Ring Count	3
Rotatable Bond Count	3

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90%	<2 Days	2085690-41-9		$51.35-$86.31$51.35$63.37$86.31