Home Other Building Blocks 4-[3-(trifluoromethyl)benzoyl]pyridine

4-[3-(trifluoromethyl)benzoyl]pyridine

CAS No.:
61977-56-8
Catalog Number:
AG019STB
Molecular Formula:
C13H8F3NO
Molecular Weight:
251.2039
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Product Description
Catalog Number:
AG019STB
Chemical Name:
4-[3-(trifluoromethyl)benzoyl]pyridine
CAS Number:
61977-56-8
Molecular Formula:
C13H8F3NO
Molecular Weight:
251.2039
MDL Number:
MFCD17535826
IUPAC Name:
pyridin-4-yl-[3-(trifluoromethyl)phenyl]methanone
InChI:
InChI=1S/C13H8F3NO/c14-13(15,16)11-3-1-2-10(8-11)12(18)9-4-6-17-7-5-9/h1-8H
InChI Key:
JBYOLOCXQADHRL-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)C(F)(F)F)c1ccncc1
Properties
Complexity:
297  
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:
3.1  
Properties