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1214353-28-2 | 2-Pyridinecarboxylic acid, 5-chloro-3-(trifluoromethyl)-, methyl ester
CAS No: 1214353-28-2 Catalog No: AG0014W1 MDL No:
Product Description
Catalog Number:
AG0014W1
Chemical Name:
2-Pyridinecarboxylic acid, 5-chloro-3-(trifluoromethyl)-, methyl ester
CAS Number:
1214353-28-2
Molecular Formula:
C8H5ClF3NO2
Molecular Weight:
239.5790
IUPAC Name:
methyl 5-chloro-3-(trifluoromethyl)pyridine-2-carboxylate
InChI:
InChI=1S/C8H5ClF3NO2/c1-15-7(14)6-5(8(10,11)12)2-4(9)3-13-6/h2-3H,1H3
InChI Key:
KQMBHBZPMOJNKB-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(cc1C(F)(F)F)Cl
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.996g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.578g/mol
Monoisotopic Mass:
238.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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