Name: Name:5-Pyrimidinecarboxylic acid, 4-methyl-2-(trifluoromethyl)-, ethyl ester
Brand: Angene
SKU: AG0030YU
Rating: 90 (10 reviews)

5-Pyrimidinecarboxylic acid, 4-methyl-2-(trifluoromethyl)-, ethyl ester

CAS No.:

306960-67-8

Catalog Number:

AG0030YU

Molecular Formula:

C9H9F3N2O2

Molecular Weight:

234.1752

Catalog Number:

AG0030YU

Chemical Name:

5-Pyrimidinecarboxylic acid, 4-methyl-2-(trifluoromethyl)-, ethyl ester

CAS Number:

306960-67-8

Molecular Formula:

C9H9F3N2O2

Molecular Weight:

234.1752

MDL Number:

MFCD07367386

IUPAC Name:

ethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate

InChI:

InChI=1S/C9H9F3N2O2/c1-3-16-7(15)6-4-13-8(9(10,11)12)14-5(6)2/h4H,3H2,1-2H3

InChI Key:

LYEKBQSEKSEXLT-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cnc(nc1C)C(F)(F)F

Complexity:

258

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

234.178g/mol

Monoisotopic Mass:

234.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7