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78946-17-5 | 2-(Trifluoromethyl)quinoline-4-carbaldehyde
CAS No: 78946-17-5 Catalog No: AG0054K7 MDL No:MFCD08690742
Product Description
Catalog Number:
AG0054K7
Chemical Name:
2-(Trifluoromethyl)quinoline-4-carbaldehyde
CAS Number:
78946-17-5
Molecular Formula:
C11H6F3NO
Molecular Weight:
225.1666
MDL Number:
MFCD08690742
IUPAC Name:
2-(trifluoromethyl)quinoline-4-carbaldehyde
InChI:
InChI=1S/C11H6F3NO/c12-11(13,14)10-5-7(6-16)8-3-1-2-4-9(8)15-10/h1-6H
InChI Key:
YORNOUOCXCQZJB-UHFFFAOYSA-N
SMILES:
O=Cc1cc(nc2c1cccc2)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:
2.8
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