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Methyl 4-hydroxy-8-(trifluoromethyl)quinoline-2-carboxylate

CAS No.:
1065074-52-3
Catalog Number:
AG0083JY
Molecular Formula:
C12H8F3NO3
Molecular Weight:
271.1920
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$75
- +
5g
95%
In Stock USA
United States
$225
- +
25g
95%
In Stock USA
United States
$675
- +
Product Description
Catalog Number:
AG0083JY
Chemical Name:
Methyl 4-hydroxy-8-(trifluoromethyl)quinoline-2-carboxylate
CAS Number:
1065074-52-3
Molecular Formula:
C12H8F3NO3
Molecular Weight:
271.1920
MDL Number:
MFCD11053782
IUPAC Name:
methyl 4-oxo-8-(trifluoromethyl)-1H-quinoline-2-carboxylate
InChI:
InChI=1S/C12H8F3NO3/c1-19-11(18)8-5-9(17)6-3-2-4-7(10(6)16-8)12(13,14)15/h2-5H,1H3,(H,16,17)
InChI Key:
YQFLSLNXTHQDHJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(O)c2c(n1)c(ccc2)C(F)(F)F
Properties
Complexity:
430  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.046g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
271.195g/mol
Monoisotopic Mass:
271.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties