tert-butyl N-[2-chloro-6-(trifluoromethyl)pyridin-4-yl]carbamate

tert-butyl N-[2-chloro-6-(trifluoromethyl)pyridin-4-yl]carbamate

CAS: 1373223-18-7

Formula: C11H12ClF3N2O2

SMILES: CC(C)(C)OC(=O)NC1=CC(Cl)=NC(=C1)C(F)(F)F

IUPAC: tert-butyl N-[2-chloro-6-(trifluoromethyl)pyridin-4-yl]carbamate

InChI: InChI=1S/C11H12ClF3N2O2/c1-10(2,3)19-9(18)16-6-4-7(11(13,14)15)17-8(12)5-6/h4-5H,1-3H3,(H,16,17,18)

Composition: C (44.53%), H (4.08%), Cl (11.95%), F (19.21%), N (9.44%), O (10.79%)

Molar Mass: 296.67

Atom Count: 31

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	296.0539398
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BIQHJEMLFFESKK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.66
Topological Polar Surface Area	51.22
Polarizability	23.86
Ring Count	1
Rotatable Bond Count	4

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97%	<2 Days	1373223-18-7		$179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70