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1828-96-2 | 2(1H)-Quinolinone, 6-methyl-4-(trifluoromethyl)-
CAS No: 1828-96-2 Catalog No: AG00245K MDL No:MFCD04035729
Product Description
Catalog Number:
AG00245K
Chemical Name:
2(1H)-Quinolinone, 6-methyl-4-(trifluoromethyl)-
CAS Number:
1828-96-2
Molecular Formula:
C11H8F3NO
Molecular Weight:
227.1825
MDL Number:
MFCD04035729
IUPAC Name:
6-methyl-4-(trifluoromethyl)-1H-quinolin-2-one
InChI:
InChI=1S/C11H8F3NO/c1-6-2-3-9-7(4-6)8(11(12,13)14)5-10(16)15-9/h2-5H,1H3,(H,15,16)
InChI Key:
KTJROJRNPOWDGG-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(cc(=O)[nH]2)C(F)(F)F
NSC Number:
128780
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:
4
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:
2.1
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