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89446-68-4 | 4-Quinolinecarboxaldehyde, 7-(trifluoromethyl)-
CAS No: 89446-68-4 Catalog No: AG0043EK MDL No:
Product Description
Catalog Number:
AG0043EK
Chemical Name:
4-Quinolinecarboxaldehyde, 7-(trifluoromethyl)-
CAS Number:
89446-68-4
Molecular Formula:
C11H6F3NO
Molecular Weight:
225.1666
IUPAC Name:
7-(trifluoromethyl)quinoline-4-carbaldehyde
InChI:
InChI=1S/C11H6F3NO/c12-11(13,14)8-1-2-9-7(6-16)3-4-15-10(9)5-8/h1-6H
InChI Key:
APCJAFSZYJPDTK-UHFFFAOYSA-N
SMILES:
O=Cc1ccnc2c1ccc(c2)C(F)(F)F
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.17g/mol
Monoisotopic Mass:
225.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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