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6-Nitrochrysene-d11

CAT: 0572-TRC-N520222-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N520222-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
203805-92-9
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c3c4c([2H])c([2H])c([2H])c([2H])c4c(c([2H])c23)[N+](=O)[O-]
Molecular Formula
C18 D11 N O2
Molecular Weight
284.35
InChI
InChI=1S/C18H11NO2/c20-19(21)18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D
Additionnal Information
IUPAC name: 1,2,3,4,5,6,7,8,9,10,11-undecadeuterio-12-nitro-chrysene
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

6-Nitrochrysene-D11
CAS Number203805-92-9
PubChem CID90470965
IUPAC Name1,2,3,4,5,6,7,8,9,10,11-undecadeuterio-12-nitrochrysene
Molecular FormulaC18H11NO2
Molecular Weight284.4
XLogP5.5
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity405
SMILES
[2H]C1=C(C(=C2C(=C1[2H])C(=C(C3=C2C(=C(C4=C(C(=C(C(=C34)[2H])[2H])[2H])[2H])[N+](=O)[O-])[2H])[2H])[2H])[2H])[2H]
InChI
InChI=1S/C18H11NO2/c20-19(21)18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D
InChIKey
UAWLTQJFZUYROA-LFFOKYCESA-N
Chemical Structure
2D Structure
2D structure of 6-Nitrochrysene-D11
CAS: 203805-92-9
CID: 90470965
Formula: C18H11NO2
MW: 284.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.4
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass284.148022799
Monoisotopic Mass284.148022799
Topological Polar Surface Area45.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity405
Isotope Atom Count11
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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