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CAS No.:
66023-21-0
Catalog Number:
AG01DXF3
Molecular Formula:
C11H8F3N
Molecular Weight:
211.1831
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Product Description
Catalog Number:
AG01DXF3
CAS Number:
66023-21-0
Molecular Formula:
C11H8F3N
Molecular Weight:
211.1831
MDL Number:
MFCD07807945
IUPAC Name:
2-methyl-6-(trifluoromethyl)quinoline
InChI:
InChI=1S/C11H8F3N/c1-7-2-3-8-6-9(11(12,13)14)4-5-10(8)15-7/h2-6H,1H3
InChI Key:
VHSCBEQRKQRFEK-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)ccc(c2)C(F)(F)F
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.061g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.187g/mol
Monoisotopic Mass:
211.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties