silver;2,4,6-trinitrobenzene-1,3-diolate

C6HAgN3O8-2 — CID 87355532

IUPACsilver;2,4,6-trinitrobenzene-1,3-diolate
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1[O-].[Ag]
InChIInChI=1S/C6H3N3O8.Ag/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17;/h1,10-11H;/p-2
InChIKeyBTCOUZXZQQJKCY-UHFFFAOYSA-L
MW350.96 g/mol
LogP-0.44
Rot. Bonds3

About silver;2,4,6-trinitrobenzene-1,3-diolate

silver;2,4,6-trinitrobenzene-1,3-diolate (PubChem CID 87355532) has the molecular formula C6HAgN3O8-2 and a molecular weight of 350.96 g/mol. Its IUPAC name is silver;2,4,6-trinitrobenzene-1,3-diolate.

Molecular Properties

Compound Namesilver;2,4,6-trinitrobenzene-1,3-diolate
PubChem CID87355532
Molecular FormulaC6HAgN3O8-2
Molecular Weight350.96 g/mol
Exact Mass349.88
IUPAC Namesilver;2,4,6-trinitrobenzene-1,3-diolate
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1[O-].[Ag]
InChIInChI=1S/C6H3N3O8.Ag/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17;/h1,10-11H;/p-2
InChIKeyBTCOUZXZQQJKCY-UHFFFAOYSA-L
XLogP-0.44
TPSA175.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.96
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of silver;2,4,6-trinitrobenzene-1,3-diolate?
The IUPAC name of silver;2,4,6-trinitrobenzene-1,3-diolate (CID 87355532) is silver;2,4,6-trinitrobenzene-1,3-diolate.
What is the SMILES notation for silver;2,4,6-trinitrobenzene-1,3-diolate?
The canonical SMILES for silver;2,4,6-trinitrobenzene-1,3-diolate is O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1[O-].[Ag].
What is the InChIKey of silver;2,4,6-trinitrobenzene-1,3-diolate?
The InChIKey is BTCOUZXZQQJKCY-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H3N3O8.Ag/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17;/h1,10-11H;/p-2.
What are the key properties of silver;2,4,6-trinitrobenzene-1,3-diolate?
silver;2,4,6-trinitrobenzene-1,3-diolate has a molecular weight of 350.96 g/mol, XLogP of -0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for silver;2,4,6-trinitrobenzene-1,3-diolate is sourced from PubChem (CID 87355532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).