Name: Name:[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1(2H)-yl]acetic acid
Brand: Angene
SKU: AG004R9D
Rating: 90 (10 reviews)

[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1(2H)-yl]acetic acid

CAS No.:

851208-01-0

Catalog Number:

AG004R9D

Molecular Formula:

C8H5ClF3NO3

Molecular Weight:

255.5784

Catalog Number:

AG004R9D

Chemical Name:

[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1(2H)-yl]acetic acid

CAS Number:

851208-01-0

Molecular Formula:

C8H5ClF3NO3

Molecular Weight:

255.5784

MDL Number:

MFCD06375941

IUPAC Name:

2-[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetic acid

InChI:

InChI=1S/C8H5ClF3NO3/c9-5-1-4(8(10,11)12)2-13(7(5)16)3-6(14)15/h1-2H,3H2,(H,14,15)

InChI Key:

DMFPEEFRMXLMLJ-UHFFFAOYSA-N

SMILES:

OC(=O)Cn1cc(cc(c1=O)Cl)C(F)(F)F

Complexity:

400

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.991g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

255.577g/mol

Monoisotopic Mass:

254.991g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3