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


Chemical Name: 4-Pyridinecarboxylic acid, 2-chloro-6-(trifluoromethyl)-
CAS Number: 796090-23-8
Product Number: AG00G86V(AGN-PC-004LQN)
Synonyms:
MDL No:
Molecular Formula: C7H3ClF3NO2
Molecular Weight: 225.5524

Identification/Properties


Computed Properties
Molecular Weight:
225.551g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
224.98g/mol
Monoisotopic Mass:
224.98g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
234
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

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NMR Spectrum


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