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823222-01-1 | 4-Pyridinecarboxylic acid, 5-chloro-2-(trifluoromethyl)-
CAS No: 823222-01-1 Catalog No: AG004YWS MDL No:MFCD13189322
Product Description
Catalog Number:
AG004YWS
Chemical Name:
4-Pyridinecarboxylic acid, 5-chloro-2-(trifluoromethyl)-
CAS Number:
823222-01-1
Molecular Formula:
C7H3ClF3NO2
Molecular Weight:
225.5524
MDL Number:
MFCD13189322
IUPAC Name:
5-chloro-2-(trifluoromethyl)pyridine-4-carboxylic acid
InChI:
InChI=1S/C7H3ClF3NO2/c8-4-2-12-5(7(9,10)11)1-3(4)6(13)14/h1-2H,(H,13,14)
InChI Key:
FLNMNRMAYBXCCM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ncc1Cl)C(F)(F)F
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.98g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.551g/mol
Monoisotopic Mass:
224.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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