4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2-carboxylic acid

4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2-carboxylic acid

Formula: C13H9F3N2O2

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

IUPAC: 4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2-carboxylic acid

InChI: InChI=1S/C13H9F3N2O2/c1-7-4-2-3-5-8(7)9-6-10(13(14,15)16)18-11(17-9)12(19)20/h2-6H,1H3,(H,19,20)

Composition: C (55.33%), H (3.21%), F (20.20%), N (9.93%), O (11.34%)

Molar Mass: 282.222

Atom Count: 29

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	282.061612027
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OBUUAZQVCZGQCL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.05
Topological Polar Surface Area	63.08
Polarizability	24.71
Ring Count	2
Rotatable Bond Count	3

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<14 Days	C13H9F3N2O2		$1,315.44$1,315.44