tert-butyl 4-chloro-6-(trifluoromethyl)pyridine-3-carboxylate

tert-butyl 4-chloro-6-(trifluoromethyl)pyridine-3-carboxylate

CAS: 2206752-25-0

Formula: C11H11ClF3NO2

SMILES: CC(C)(C)OC(=O)C1=CN=C(C=C1Cl)C(F)(F)F

IUPAC: tert-butyl 4-chloro-6-(trifluoromethyl)pyridine-3-carboxylate

InChI: InChI=1S/C11H11ClF3NO2/c1-10(2,3)18-9(17)6-5-16-8(4-7(6)12)11(13,14)15/h4-5H,1-3H3

Composition: C (46.91%), H (3.94%), Cl (12.59%), F (20.24%), N (4.97%), O (11.36%)

Molar Mass: 281.66

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	281.0430408
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KMKZRSUHRXTPNG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.14
Topological Polar Surface Area	39.19
Polarizability	22.64
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	2206752-25-0		$210.59-$321.56$210.59$321.56