94248-46-1 Purity
96%
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Specification
The molecular formula of Dinitro-1,3-bis(2,4,6-trinitrophenoxy)benzene is C18H6N8O18.
The molecular weight of Dinitro-1,3-bis(2,4,6-trinitrophenoxy)benzene is 622.3 g/mol.
Dinitro-1,3-bis(2,4,6-trinitrophenoxy)benzene was created in PubChem on 2005-08-08.
The IUPAC name of Dinitro-1,3-bis(2,4,6-trinitrophenoxy)benzene is 1,3-dinitro-2,4-bis(2,4,6-trinitrophenoxy)benzene.
The InChIKey of Dinitro-1,3-bis(2,4,6-trinitrophenoxy)benzene is IJWBCTQOFIMTJQ-UHFFFAOYSA-N.
The Canonical SMILES of Dinitro-1,3-bis(2,4,6-trinitrophenoxy)benzene is C1=CC(=C(C(=C1[N+](=O)[O-])OC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].
The CAS number of Dinitro-1,3-bis(2,4,6-trinitrophenoxy)benzene is 94248-51-8.
The XLogP3-AA value of Dinitro-1,3-bis(2,4,6-trinitrophenoxy)benzene is 3.6.
Dinitro-1,3-bis(2,4,6-trinitrophenoxy)benzene has 18 hydrogen bond acceptors.
Yes, Dinitro-1,3-bis(2,4,6-trinitrophenoxy)benzene is a canonicalized compound in PubChem.