6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl 3-(trifluoromethyl)benzoate

6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl 3-(trifluoromethyl)benzoate

CAS: 478039-81-5

Formula: C14H9F3N4O2

SMILES: CC1=NN2C=NN=C2C(OC(=O)C2=CC=CC(=C2)C(F)(F)F)=C1

IUPAC: 6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl 3-(trifluoromethyl)benzoate

InChI: InChI=1S/C14H9F3N4O2/c1-8-5-11(12-19-18-7-21(12)20-8)23-13(22)9-3-2-4-10(6-9)14(15,16)17/h2-7H,1H3

Composition: C (52.18%), H (2.82%), F (17.69%), N (17.39%), O (9.93%)

Molar Mass: 322.247

Atom Count: 32

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	322.067760035
Formal Charge	0
FSP3	0.14
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	XFWFNMVTRBLEBX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.36
Topological Polar Surface Area	69.38
Polarizability	26.74
Ring Count	3
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	478039-81-5		$51.35-$524.40$51.35$63.37$86.31$524.40