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

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

Formula: C12H6ClF3N2O2

SMILES: OC(=O)C1=NC(=CC(=N1)C1=C(Cl)C=CC=C1)C(F)(F)F

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

InChI: InChI=1S/C12H6ClF3N2O2/c13-7-4-2-1-3-6(7)8-5-9(12(14,15)16)18-10(17-8)11(19)20/h1-5H,(H,19,20)

Composition: C (47.63%), H (2.00%), Cl (11.71%), F (18.83%), N (9.26%), O (10.57%)

Molar Mass: 302.64

Atom Count: 26

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	302.0069896
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DVIFREDBEKCGTN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.81
Topological Polar Surface Area	63.08
Polarizability	24.96
Ring Count	2
Rotatable Bond Count	3

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<14 Days	C12H6ClF3N2O2		$1,179.36$1,179.36