1-(4-fluorophenyl)-3-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]urea

1-(4-fluorophenyl)-3-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]urea

CAS: 1227954-98-4

Formula: C14H11F4N3O

SMILES: CC1=NC(=CC=C1NC(=O)NC1=CC=C(F)C=C1)C(F)(F)F

IUPAC: 1-(4-fluorophenyl)-3-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]urea

InChI: InChI=1S/C14H11F4N3O/c1-8-11(6-7-12(19-8)14(16,17)18)21-13(22)20-10-4-2-9(15)3-5-10/h2-7H,1H3,(H2,20,21,22)

Composition: C (53.68%), H (3.54%), F (24.26%), N (13.41%), O (5.11%)

Molar Mass: 313.256

Atom Count: 33

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	313.083824638
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	PPLXPYGJODSNNE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.31
Topological Polar Surface Area	54.02
Polarizability	25.92
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	1227954-98-4		$51.35-$86.31$51.35$63.37$86.31