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1261782-37-9 | 3-Pyridinecarboxylic acid, 6-[2-(trifluoromethoxy)phenyl]-, methyl ester
CAS No: 1261782-37-9 Catalog No: AG000S0D MDL No:MFCD18408426
Product Description
Catalog Number:
AG000S0D
Chemical Name:
3-Pyridinecarboxylic acid, 6-[2-(trifluoromethoxy)phenyl]-, methyl ester
CAS Number:
1261782-37-9
Molecular Formula:
C14H10F3NO3
Molecular Weight:
297.2293
MDL Number:
MFCD18408426
IUPAC Name:
methyl 6-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylate
InChI:
InChI=1S/C14H10F3NO3/c1-20-13(19)9-6-7-11(18-8-9)10-4-2-3-5-12(10)21-14(15,16)17/h2-8H,1H3
InChI Key:
FFCZKODMIDILOK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(nc1)c1ccccc1OC(F)(F)F
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.061g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.233g/mol
Monoisotopic Mass:
297.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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