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1020719-60-1 | Benzamide, 3-methoxy-2-(methyl-d3)-N-phenyl-
CAS No: 1020719-60-1 Catalog No: AG0006KH MDL No:
Product Description
Catalog Number:
AG0006KH
Chemical Name:
Benzamide, 3-methoxy-2-(methyl-d3)-N-phenyl-
CAS Number:
1020719-60-1
Molecular Formula:
C15H12D3NO2
Molecular Weight:
244.3036
IUPAC Name:
3-methoxy-N-phenyl-2-(trideuteriomethyl)benzamide
InChI:
InChI=1S/C15H15NO2/c1-11-13(9-6-10-14(11)18-2)15(17)16-12-7-4-3-5-8-12/h3-10H,1-2H3,(H,16,17)/i1D3
InChI Key:
JMYLVZGGEKBZAB-FIBGUPNXSA-N
SMILES:
COc1cccc(c1C([2H])([2H])[2H])C(=O)Nc1ccccc1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.129g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
3
Molecular Weight:
244.308g/mol
Monoisotopic Mass:
244.129g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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