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31009-34-4 | 4-Quinolinol, 6-fluoro-2-(trifluoromethyl)-
CAS No: 31009-34-4 Catalog No: AG0031X2 MDL No:MFCD00276582
Product Description
Catalog Number:
AG0031X2
Chemical Name:
4-Quinolinol, 6-fluoro-2-(trifluoromethyl)-
CAS Number:
31009-34-4
Molecular Formula:
C10H5F4NO
Molecular Weight:
231.1464
MDL Number:
MFCD00276582
IUPAC Name:
6-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one
InChI:
InChI=1S/C10H5F4NO/c11-5-1-2-7-6(3-5)8(16)4-9(15-7)10(12,13)14/h1-4H,(H,15,16)
InChI Key:
FNDABQIPEQHTNR-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(O)cc(n2)C(F)(F)F
NSC Number:
142532
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.15g/mol
Monoisotopic Mass:
231.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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