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1007478-57-0 | INDEX NAME NOT YET ASSIGNED
CAS No: 1007478-57-0 Catalog No: AG0002RC MDL No:
Product Description
Catalog Number:
AG0002RC
Chemical Name:
INDEX NAME NOT YET ASSIGNED
CAS Number:
1007478-57-0
Molecular Formula:
C10H5D4N3O4
Molecular Weight:
239.2208
IUPAC Name:
4,4,5,5-tetradeuterio-3-[(E)-(2-nitrophenyl)methylideneamino]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C10H9N3O4/c14-10-12(5-6-17-10)11-7-8-3-1-2-4-9(8)13(15)16/h1-4,7H,5-6H2/b11-7+/i5D2,6D2
InChI Key:
OHYXOGZWSSNLON-XMKBWRBRSA-N
SMILES:
O=C1OC(C(N1N=Cc1ccccc1[N+](=O)[O-])([2H])[2H])([2H])[2H]
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
239.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
4
Molecular Weight:
239.223g/mol
Monoisotopic Mass:
239.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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