Home Other Building Blocks (2-(Trifluoromethyl)quinolin-4-yl)methanol

(2-(Trifluoromethyl)quinolin-4-yl)methanol

CAS No.:
362469-45-2
Catalog Number:
AG00C7LD
Molecular Formula:
C11H8F3NO
Molecular Weight:
227.1825
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$225
- +
1g
96%
In Stock USA
United States
$525
- +
5g
96%
In Stock USA
United States
$1600
- +
Product Description
Catalog Number:
AG00C7LD
Chemical Name:
(2-(Trifluoromethyl)quinolin-4-yl)methanol
CAS Number:
362469-45-2
Molecular Formula:
C11H8F3NO
Molecular Weight:
227.1825
MDL Number:
MFCD12197300
IUPAC Name:
[2-(trifluoromethyl)quinolin-4-yl]methanol
InChI:
InChI=1S/C11H8F3NO/c12-11(13,14)10-5-7(6-16)8-3-1-2-4-9(8)15-10/h1-5,16H,6H2
InChI Key:
BUDRHPWUUSCWLP-UHFFFAOYSA-N
SMILES:
OCc1cc(nc2c1cccc2)C(F)(F)F
Properties
Complexity:
244  
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:
1  
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
(R*,S*)-(±)-1-(2-{[2,8-Bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-yl)ethanone methanol monosolvate. Acta crystallographica. Section E, Structure reports online 20111001
Properties