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Home > Fluorides > 833457-48-0
833457-48-0 | 2-Pyridinecarbonitrile, 3-methyl-6-[3-(trifluoromethoxy)phenyl]-
CAS No: 833457-48-0 Catalog No: AG0055MT MDL No:
Product Description
Catalog Number:
AG0055MT
Chemical Name:
2-Pyridinecarbonitrile, 3-methyl-6-[3-(trifluoromethoxy)phenyl]-
CAS Number:
833457-48-0
Molecular Formula:
C14H9F3N2O
Molecular Weight:
278.2293
IUPAC Name:
3-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile
InChI:
InChI=1S/C14H9F3N2O/c1-9-5-6-12(19-13(9)8-18)10-3-2-4-11(7-10)20-14(15,16)17/h2-7H,1H3
InChI Key:
XMHAVRZXDNSGCI-UHFFFAOYSA-N
SMILES:
N#Cc1nc(ccc1C)c1cccc(c1)OC(F)(F)F
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.234g/mol
Monoisotopic Mass:
278.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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