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Home > Fluorides > 898758-18-4
898758-18-4 | 2-(3,4,5-TRIFLUOROBENZOYL)PYRIDINE
CAS No: 898758-18-4 Catalog No: AG006OEF MDL No:
Product Description
Catalog Number:
AG006OEF
Chemical Name:
2-(3,4,5-TRIFLUOROBENZOYL)PYRIDINE
CAS Number:
898758-18-4
Molecular Formula:
C12H6F3NO
Molecular Weight:
237.1773
IUPAC Name:
pyridin-2-yl-(3,4,5-trifluorophenyl)methanone
InChI:
InChI=1S/C12H6F3NO/c13-8-5-7(6-9(14)11(8)15)12(17)10-3-1-2-4-16-10/h1-6H
InChI Key:
XOGWJLNARSFIQQ-UHFFFAOYSA-N
SMILES:
O=C(c1cc(F)c(c(c1)F)F)c1ccccn1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.04g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.181g/mol
Monoisotopic Mass:
237.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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