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Chemical structure of 4,4'-Dinitrocarbanilide-d8

GC75266

4,4'-Dinitrocarbanilide-d8

Also known as 1,3-bis(2,3,5,6-tetradeuterio-4-nitrophenyl)urea

4,4'-Dinitrocarbanilide-d8 is the deuterium labeled 4,4'-Dinitrocarbanilide

ChemicalCAS1156508-87-0MW310.29FormulaC13H2D8N4O5
CAS number
1156508-87-0
Molecular weight
310.29
Formula
C13H2D8N4O5
Solubility
DMSO： 1 mg/mL (3·22 mM; ultrasonic and warming and heat to 60°C)
InChIKey
JEZZOKXIXNSKQD-PGRXLJNUSA-N
Catalogue number
GC75266
Brand
GLPBIO
Computed properties PubChem CID 71312388 · XLogP 2.1 · TPSA 133 Ų · H-bond donors 2
XLogP
2.1
TPSA
133 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
22

SMILES [2H]C1=C(C(=C(C(=C1NC(=O)NC2=C(C(=C(C(=C2[2H])[2H])[N+](=O)[O-])[2H])[2H])[2H])[2H])[N+](=O)[O-])[2H]

Computed descriptors from PubChem (CID 71312388), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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