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89446-65-1 | 4-Quinolinecarboxaldehyde, 7-methoxy-2-(trifluoromethyl)-
CAS No: 89446-65-1 Catalog No: AG0088GC MDL No:
Product Description
Catalog Number:
AG0088GC
Chemical Name:
4-Quinolinecarboxaldehyde, 7-methoxy-2-(trifluoromethyl)-
CAS Number:
89446-65-1
Molecular Formula:
C12H8F3NO2
Molecular Weight:
255.1926
IUPAC Name:
7-methoxy-2-(trifluoromethyl)quinoline-4-carbaldehyde
InChI:
InChI=1S/C12H8F3NO2/c1-18-8-2-3-9-7(6-17)4-11(12(13,14)15)16-10(9)5-8/h2-6H,1H3
InChI Key:
UBNLITMVNSIRRT-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(cc2C=O)C(F)(F)F
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.196g/mol
Monoisotopic Mass:
255.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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