Home Other Building Blocks methyl 2-methoxy-6-(trifluoromethyl)isonicotinate

methyl 2-methoxy-6-(trifluoromethyl)isonicotinate

CAS No.:
1227594-91-3
Catalog Number:
AG01DD11
Molecular Formula:
C9H8F3NO3
Molecular Weight:
235.1599
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Product Description
Catalog Number:
AG01DD11
Chemical Name:
methyl 2-methoxy-6-(trifluoromethyl)isonicotinate
CAS Number:
1227594-91-3
Molecular Formula:
C9H8F3NO3
Molecular Weight:
235.1599
MDL Number:
MFCD16611643
IUPAC Name:
methyl 2-methoxy-6-(trifluoromethyl)pyridine-4-carboxylate
InChI:
InChI=1S/C9H8F3NO3/c1-15-7-4-5(8(14)16-2)3-6(13-7)9(10,11)12/h3-4H,1-2H3
InChI Key:
IMULAOHQPIYUDB-UHFFFAOYSA-N
SMILES:
COc1cc(cc(n1)C(F)(F)F)C(=O)OC
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.046g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.162g/mol
Monoisotopic Mass:
235.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties