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Home > Fluorides > 139439-36-4
139439-36-4 | 4(1H)-Quinolinone, 1-methyl-2-(trifluoromethyl)-
CAS No: 139439-36-4 Catalog No: AG001B1G MDL No:
Product Description
Catalog Number:
AG001B1G
Chemical Name:
4(1H)-Quinolinone, 1-methyl-2-(trifluoromethyl)-
CAS Number:
139439-36-4
Molecular Formula:
C11H8F3NO
Molecular Weight:
227.1825
IUPAC Name:
1-methyl-2-(trifluoromethyl)quinolin-4-one
InChI:
InChI=1S/C11H8F3NO/c1-15-8-5-3-2-4-7(8)9(16)6-10(15)11(12,13)14/h2-6H,1H3
InChI Key:
BTNVTJCFFUGWGH-UHFFFAOYSA-N
SMILES:
Cn1c2ccccc2c(=O)cc1C(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:
0
Isotope Atom Count:
0
Molecular Weight:
227.186g/mol
Monoisotopic Mass:
227.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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