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1416354-40-9 | 2-Pyridinecarboxylic acid, 6-chloro-3-(trifluoromethyl)-, methyl ester
CAS No: 1416354-40-9 Catalog No: AG001GRA MDL No:MFCD23135252
Product Description
Catalog Number:
AG001GRA
Chemical Name:
2-Pyridinecarboxylic acid, 6-chloro-3-(trifluoromethyl)-, methyl ester
CAS Number:
1416354-40-9
Molecular Formula:
C8H5ClF3NO2
Molecular Weight:
239.5790
MDL Number:
MFCD23135252
IUPAC Name:
methyl 6-chloro-3-(trifluoromethyl)pyridine-2-carboxylate
InChI:
InChI=1S/C8H5ClF3NO2/c1-15-7(14)6-4(8(10,11)12)2-3-5(9)13-6/h2-3H,1H3
InChI Key:
UWHUOSHQHVKPQY-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(Cl)ccc1C(F)(F)F
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:
2.9
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