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

Ethyl 6-chloro-5-(trifluoromethyl)picolinate

CAS No.:
850864-57-2
Catalog Number:
AG004RQA
Molecular Formula:
C9H7ClF3NO2
Molecular Weight:
253.6056
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Product Description
Catalog Number:
AG004RQA
Chemical Name:
Ethyl 6-chloro-5-(trifluoromethyl)picolinate
CAS Number:
850864-57-2
Molecular Formula:
C9H7ClF3NO2
Molecular Weight:
253.6056
MDL Number:
MFCD07643207
IUPAC Name:
ethyl 6-chloro-5-(trifluoromethyl)pyridine-2-carboxylate
InChI:
InChI=1S/C9H7ClF3NO2/c1-2-16-8(15)6-4-3-5(7(10)14-6)9(11,12)13/h3-4H,2H2,1H3
InChI Key:
MZFYHQVXTYZCSY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(n1)Cl)C(F)(F)F
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.012g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.605g/mol
Monoisotopic Mass:
253.012g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties