Home Carboxys 2-Oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxylic acid

2-Oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxylic acid

CAS No.:
66158-46-1
Catalog Number:
AG00FALY
Molecular Formula:
C14H10F3NO3
Molecular Weight:
297.2293
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$63
- +
5g
98%
In Stock USA
United States
$213
- +
Product Description
Catalog Number:
AG00FALY
Chemical Name:
2-Oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxylic acid
CAS Number:
66158-46-1
Molecular Formula:
C14H10F3NO3
Molecular Weight:
297.2293
MDL Number:
MFCD00243696
IUPAC Name:
2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid
InChI:
InChI=1S/C14H10F3NO3/c15-14(16,17)10-5-3-9(4-6-10)8-18-7-1-2-11(12(18)19)13(20)21/h1-7H,8H2,(H,20,21)
InChI Key:
QEVYEOVHIKEWCV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccn(c1=O)Cc1ccc(cc1)C(F)(F)F
Properties
Complexity:
488  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.061g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
297.233g/mol
Monoisotopic Mass:
297.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties