Home Halogens Methyl 6-chloro-5-(trifluoromethyl)picolinate

Methyl 6-chloro-5-(trifluoromethyl)picolinate

CAS No.:
1211518-35-2
Catalog Number:
AG0080NY
Molecular Formula:
C8H5ClF3NO2
Molecular Weight:
239.5790
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Product Description
Catalog Number:
AG0080NY
Chemical Name:
Methyl 6-chloro-5-(trifluoromethyl)picolinate
CAS Number:
1211518-35-2
Molecular Formula:
C8H5ClF3NO2
Molecular Weight:
239.5790
MDL Number:
MFCD18255501
IUPAC Name:
methyl 6-chloro-5-(trifluoromethyl)pyridine-2-carboxylate
InChI:
InChI=1S/C8H5ClF3NO2/c1-15-7(14)5-3-2-4(6(9)13-5)8(10,11)12/h2-3H,1H3
InChI Key:
PODTYUCVUPUSNR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(n1)Cl)C(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  
Properties