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2-NP-AOZ

CAT: 0572-TRC-N895000-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N895000-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19687-73-1
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
[O-][N+](=O)c1ccccc1\C=N\N2CCOC2=O
Molecular Formula
C10 H9 N3 O4
Molecular Weight
235.2
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+
Additionnal Information
IUPAC name: 3-[(E)-(2-nitrophenyl)methylideneamino]-1,3-oxazolidin-2-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Oxazolidone, 3-((o-nitrophenyl)methyleneamino)-
CAS Number19687-73-1
PubChem CID9578490
IUPAC Name3-[(E)-(2-nitrophenyl)methylideneamino]-1,3-oxazolidin-2-one
Molecular FormulaC10H9N3O4
Molecular Weight235.20
XLogP1.4
Topological Polar Surface Area87.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity339
SMILES
C1COC(=O)N1/N=C/C2=CC=CC=C2[N+](=O)[O-]
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+
InChIKey
OHYXOGZWSSNLON-YRNVUSSQSA-N
Chemical Structure
2D Structure
2D structure of 2-Oxazolidone, 3-((o-nitrophenyl)methyleneamino)-
CAS: 19687-73-1
CID: 9578490
Formula: C10H9N3O4
MW: 235.20
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.20
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass235.05930578
Monoisotopic Mass235.05930578
Topological Polar Surface Area87.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity339
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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