Name: Name:4-Pyridinecarboxylic acid, 2-chloro-6-(trifluoromethyl)-, methyl ester
Brand: Angene
SKU: AG000JD8
Rating: 90 (10 reviews)

4-Pyridinecarboxylic acid, 2-chloro-6-(trifluoromethyl)-, methyl ester

CAS No.:

1227594-40-2

Catalog Number:

AG000JD8

Molecular Formula:

C8H5ClF3NO2

Molecular Weight:

239.5790

Catalog Number:

AG000JD8

Chemical Name:

4-Pyridinecarboxylic acid, 2-chloro-6-(trifluoromethyl)-, methyl ester

CAS Number:

1227594-40-2

Molecular Formula:

C8H5ClF3NO2

Molecular Weight:

239.5790

MDL Number:

MFCD16611605

IUPAC Name:

methyl 2-chloro-6-(trifluoromethyl)pyridine-4-carboxylate

InChI:

InChI=1S/C8H5ClF3NO2/c1-15-7(14)4-2-5(8(10,11)12)13-6(9)3-4/h2-3H,1H3

InChI Key:

PPPKCVBFGSHQKD-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(Cl)nc(c1)C(F)(F)F

Complexity:

247

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

238.996g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.578g/mol

Monoisotopic Mass:

238.996g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

39.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6