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15912-66-0

15912-66-0 | 4-Quinolinol, 2-methyl-7-(trifluoromethyl)-

CAS No: 15912-66-0 Catalog No: AG001QIX MDL No:MFCD00100261

Product Description

Catalog Number:
AG001QIX
Chemical Name:
4-Quinolinol, 2-methyl-7-(trifluoromethyl)-
CAS Number:
15912-66-0
Molecular Formula:
C11H8F3NO
Molecular Weight:
227.1825
MDL Number:
MFCD00100261
IUPAC Name:
2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
InChI:
InChI=1S/C11H8F3NO/c1-6-4-10(16)8-3-2-7(11(12,13)14)5-9(8)15-6/h2-5H,1H3,(H,15,16)
InChI Key:
IIABTAZQWRTZHG-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c2c(n1)cc(cc2)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  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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