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3-{[(2-nitrophenyl)methylidene]amino}(²H?)-1,3-oxazolidin-2-one

3-{[(2-nitrophenyl)methylidene]amino}(²H?)-1,3-oxazolidin-2-one

CAS: 1007478-57-0

Formula: C10H9N3O4

SMILES: [2H]C1([2H])OC(=O)N(N=CC2=CC=CC=C2[N+]([O-])=O)C1([2H])[2H]

IUPAC: 3-{[(2-nitrophenyl)methylidene]amino}(²H?)-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/i5D2,6D2

Composition: C (50.21%), H (2.11%), [2H] (3.37%), N (17.57%), O (26.75%)

Molar Mass: 239.223

Atom Count: 26

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 239.084412765
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey OHYXOGZWSSNLON-NZLXMSDQSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.44
Topological Polar Surface Area 85.04
Polarizability 21.58
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
% <6 Days 1007478-57-0 $684.25-$1,077.55$684.25$1,077.55
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