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Formaldehyde 2,4-Dinitrophenylhydrazone-d3

CAT: 0572-TRC-F691402-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F691402-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
259824-50-5
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c(c([2H])c(c1NN=C)[N+](=O)[O-])[N+](=O)[O-]
Molecular Formula
C7 2H3 H3 N4 O4
Molecular Weight
213.17
InChI
InChI=1S/C7H6N4O4/c1-8-9-6-3-2-5(10(12)13)4-7(6)11(14)15/h2-4,9H,1H2/i2D,3D,4D
Additionnal Information
IUPAC name: 2,3,5-trideuterio-N-(methylideneamino)-4,6-dinitroaniline
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N,3,5-trideuterio-N-(methylideneamino)-2,4-dinitroaniline
CAS Number259824-50-5
PubChem CID122236693
IUPAC NameN,3,5-trideuterio-N-(methylideneamino)-2,4-dinitroaniline
Molecular FormulaC7H6N4O4
Molecular Weight213.17
XLogP2.3
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity271
SMILES
[2H]C1=CC(=C(C(=C1[N+](=O)[O-])[2H])[N+](=O)[O-])N([2H])N=C
InChI
InChI=1S/C7H6N4O4/c1-8-9-6-3-2-5(10(12)13)4-7(6)11(14)15/h2-4,9H,1H2/i2D,4D/hD
InChIKey
UEQLSLWCHGLSML-COQLVEBOSA-N
Chemical Structure
2D Structure
2D structure of N,3,5-trideuterio-N-(methylideneamino)-2,4-dinitroaniline
CAS: 259824-50-5
CID: 122236693
Formula: C7H6N4O4
MW: 213.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.17
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass213.05773492
Monoisotopic Mass213.05773492
Topological Polar Surface Area116 Ų
Heavy Atom Count15
Formal Charge0
Complexity271
Isotope Atom Count3
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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