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1015855-64-7 | 2-Oxazolidinone-4,4,5-d3, 5-(4-morpholinylmethyl-d2)-3-[[(5-nitro-2-furanyl)methylene]amino]-
CAS No: 1015855-64-7 Catalog No: AG0004WH MDL No:
Product Description
Catalog Number:
AG0004WH
Chemical Name:
2-Oxazolidinone-4,4,5-d3, 5-(4-morpholinylmethyl-d2)-3-[[(5-nitro-2-furanyl)methylene]amino]-
CAS Number:
1015855-64-7
Molecular Formula:
C13H11D5N4O6
Molecular Weight:
329.3201
IUPAC Name:
4,4,5-trideuterio-5-[dideuterio(morpholin-4-yl)methyl]-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C13H16N4O6/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15/h1-2,7,11H,3-6,8-9H2/i8D2,9D2,11D
InChI Key:
YVQVOQKFMFRVGR-QJHRKUAUSA-N
SMILES:
C([2H])(C1([2H])OC(=O)N(C1([2H])[2H])N=Cc1ccc(o1)[N+](=O)[O-])(N1CCOCC1)[2H]
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.138g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
5
Molecular Weight:
329.324g/mol
Monoisotopic Mass:
329.138g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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