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Home > Fluorides > 1187167-58-3
1187167-58-3 | 3-(4-Trifluoromethylbenzoyl)quinoline
CAS No: 1187167-58-3 Catalog No: AG01FCX5 MDL No:
Product Description
Catalog Number:
AG01FCX5
Chemical Name:
3-(4-Trifluoromethylbenzoyl)quinoline
CAS Number:
1187167-58-3
Molecular Formula:
C17H10F3NO
Molecular Weight:
301.2626
IUPAC Name:
quinolin-3-yl-[4-(trifluoromethyl)phenyl]methanone
InChI:
InChI=1S/C17H10F3NO/c18-17(19,20)14-7-5-11(6-8-14)16(22)13-9-12-3-1-2-4-15(12)21-10-13/h1-10H
InChI Key:
YGDMEBROFGDKIC-UHFFFAOYSA-N
SMILES:
O=C(c1cnc2c(c1)cccc2)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.071g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.268g/mol
Monoisotopic Mass:
301.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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