CAS
94248-45-0 Purity
96%
94248-45-0 Purity
96%
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Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene
CAS
94248-50-7
Catalog Number
ACM94248507
Category
Other Products
Molecular Weight
622.283040 [g/mol]
Molecular Formula
C18H6N8O18
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Specification
Synonyms
Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene, 94248-50-7, AC1MIFVN, CTK5H6093, AG-H-88898, 1,2-dinitro-3,4-bis(2,4,6-trinitrophenoxy)benzene
IUPAC Name
1,2-dinitro-3,4-bis(2,4,6-trinitrophenoxy)benzene
Canonical SMILES
C1=CC(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])OC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI Key
FAKFPWLRJYDADO-UHFFFAOYSA-N
Boiling Point
634.7ºC at 760mmHg
Flash Point
237.7ºC
Density
1.912g/cm³
EC Number
304-323-0
Exact Mass
621.98000
H-Bond Acceptor
18
H-Bond Donor
0
What is the molecular formula of Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene?
The molecular formula is C18H6N8O18.
When was Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene created and last modified?
It was created on 2005-08-08 and last modified on 2023-12-30.
What is the molecular weight of Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene?
The molecular weight is 622.3 g/mol.
What is the IUPAC name of Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene?
The IUPAC name is 1,2-dinitro-3,4-bis(2,4,6-trinitrophenoxy)benzene.
What is the Canonical SMILES of Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene?
The Canonical SMILES is C1=CC(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])OC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-]).
What is the InChIKey of Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene?
The InChIKey is FAKFPWLRJYDADO-UHFFFAOYSA-N.
How many hydrogen bond acceptors does Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene have?
It has 18 hydrogen bond acceptors.
What is the XLogP3-AA value of Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene?
The XLogP3-AA value is 3.6.
What is the exact mass of Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene?
The exact mass is 621.98000537 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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