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Home > Fluorides > 140908-88-9
140908-88-9 | 4-Quinolinol, 2-methyl-8-(trifluoromethyl)-
CAS No: 140908-88-9 Catalog No: AG001CZA MDL No:
Product Description
Catalog Number:
AG001CZA
Chemical Name:
4-Quinolinol, 2-methyl-8-(trifluoromethyl)-
CAS Number:
140908-88-9
Molecular Formula:
C11H8F3NO
Molecular Weight:
227.1825
IUPAC Name:
2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one
InChI:
InChI=1S/C11H8F3NO/c1-6-5-9(16)7-3-2-4-8(10(7)15-6)11(12,13)14/h2-5H,1H3,(H,15,16)
InChI Key:
OTMHQQLVOKHQTM-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c2c(n1)c(ccc2)C(F)(F)F
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.186g/mol
Monoisotopic Mass:
227.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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