4-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2-carboxylic acid

4-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2-carboxylic acid

Formula: C12H5Cl2F3N2O2

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

IUPAC: 4-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2-carboxylic acid

InChI: InChI=1S/C12H5Cl2F3N2O2/c13-5-1-2-7(14)6(3-5)8-4-9(12(15,16)17)19-10(18-8)11(20)21/h1-4H,(H,20,21)

Composition: C (42.76%), H (1.50%), Cl (21.03%), F (16.91%), N (8.31%), O (9.49%)

Molar Mass: 337.08

Atom Count: 26

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	335.9680173
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	NJGGMLPSUIFYIG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.61
Topological Polar Surface Area	63.08
Polarizability	26.95
Ring Count	2
Rotatable Bond Count	3

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<14 Days	C12H5Cl2F3N2O2		$1,247.40$1,247.40