Home Carboxys 6-Oxo-1-[3-(trifluoromethyl)benzyl]-1,6-dihydro-3-pyridinecarboxylic acid

6-Oxo-1-[3-(trifluoromethyl)benzyl]-1,6-dihydro-3-pyridinecarboxylic acid

CAS No.:
338783-19-0
Catalog Number:
AG00DDQ3
Molecular Formula:
C14H10F3NO3
Molecular Weight:
297.2293
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$130
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Product Description
Catalog Number:
AG00DDQ3
Chemical Name:
6-Oxo-1-[3-(trifluoromethyl)benzyl]-1,6-dihydro-3-pyridinecarboxylic acid
CAS Number:
338783-19-0
Molecular Formula:
C14H10F3NO3
Molecular Weight:
297.2293
MDL Number:
MFCD00139896
IUPAC Name:
6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid
InChI:
InChI=1S/C14H10F3NO3/c15-14(16,17)11-3-1-2-9(6-11)7-18-8-10(13(20)21)4-5-12(18)19/h1-6,8H,7H2,(H,20,21)
InChI Key:
NYZVOKKBFUJNPZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(=O)n(c1)Cc1cccc(c1)C(F)(F)F
Properties
Complexity:
496  
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:
2  
Properties