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80097-15-0 | 1-methyl-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CAS No: 80097-15-0 Catalog No: AG005DC1 MDL No:MFCD28383790
Product Description
Catalog Number:
AG005DC1
Chemical Name:
1-methyl-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CAS Number:
80097-15-0
Molecular Formula:
C14H10F3NO3
Molecular Weight:
297.2293
MDL Number:
MFCD28383790
IUPAC Name:
1-methyl-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
InChI:
InChI=1S/C14H10F3NO3/c1-18-6-10(12(19)11(7-18)13(20)21)8-3-2-4-9(5-8)14(15,16)17/h2-7H,1H3,(H,20,21)
InChI Key:
BXIRTBRYEAQDFM-UHFFFAOYSA-N
SMILES:
Cn1cc(C(=O)O)c(=O)c(c1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
522
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:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.233g/mol
Monoisotopic Mass:
297.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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