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1015856-60-6 | 3-Pyridinecarboxylic acid, 2-[[2-(methyl-d3)-3-(trifluoromethyl)phenyl]amino]-
CAS No: 1015856-60-6 Catalog No: AG0004WA MDL No:
Product Description
Catalog Number:
AG0004WA
Chemical Name:
3-Pyridinecarboxylic acid, 2-[[2-(methyl-d3)-3-(trifluoromethyl)phenyl]amino]-
CAS Number:
1015856-60-6
Molecular Formula:
C14H8D3F3N2O2
Molecular Weight:
299.2630
IUPAC Name:
2-[2-(trideuteriomethyl)-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
InChI:
InChI=1S/C14H11F3N2O2/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12/h2-7H,1H3,(H,18,19)(H,20,21)/i1D3
InChI Key:
NOOCSNJCXJYGPE-FIBGUPNXSA-N
SMILES:
OC(=O)c1cccnc1Nc1cccc(c1C([2H])([2H])[2H])C(F)(F)F
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
3
Molecular Weight:
299.268g/mol
Monoisotopic Mass:
299.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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