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


Chemical Name: 2-[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetic acid
CAS Number: 851208-01-0
Product Number: AG004R9D(AGN-PC-0KGS01)
Synonyms:
MDL No: MFCD06375941
Molecular Formula: C8H5ClF3NO3
Molecular Weight: 255.5784

Identification/Properties


Computed Properties
Molecular Weight:
255.577g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
254.991g/mol
Monoisotopic Mass:
254.991g/mol
Topological Polar Surface Area:
57.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
400
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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