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27693-47-6 | Methanone, 2-pyridinyl[3-(trifluoromethyl)phenyl]-
CAS No: 27693-47-6 Catalog No: AG002UI8 MDL No:
Product Description
Catalog Number:
AG002UI8
Chemical Name:
Methanone, 2-pyridinyl[3-(trifluoromethyl)phenyl]-
CAS Number:
27693-47-6
Molecular Formula:
C13H8F3NO
Molecular Weight:
251.2039
IUPAC Name:
pyridin-2-yl-[3-(trifluoromethyl)phenyl]methanone
InChI:
InChI=1S/C13H8F3NO/c14-13(15,16)10-5-3-4-9(8-10)12(18)11-6-1-2-7-17-11/h1-8H
InChI Key:
WUTAZWNLGPDDDM-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)C(F)(F)F)c1ccccn1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.208g/mol
Monoisotopic Mass:
251.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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