Name: Name:5-Pyrimidinecarboxylic acid, 2-chloro-4-(trifluoromethyl)-, (4-chlorophenyl)methyl ester
Brand: Angene
SKU: AG0020AR
Rating: 90 (10 reviews)

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

CAS No.:

175137-30-1

Catalog Number:

AG0020AR

Molecular Formula:

C13H7Cl2F3N2O2

Molecular Weight:

351.1081

Catalog Number:

AG0020AR

Chemical Name:

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

CAS Number:

175137-30-1

Molecular Formula:

C13H7Cl2F3N2O2

Molecular Weight:

351.1081

MDL Number:

MFCD00068150

IUPAC Name:

(4-chlorophenyl)methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate

InChI:

InChI=1S/C13H7Cl2F3N2O2/c14-8-3-1-7(2-4-8)6-22-11(21)9-5-19-12(15)20-10(9)13(16,17)18/h1-5H,6H2

InChI Key:

HSBJECAMXXWHKG-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)COC(=O)c1cnc(nc1C(F)(F)F)Cl

Complexity:

390

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

349.984g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

351.106g/mol

Monoisotopic Mass:

349.984g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1