silver 2,2-dinitro-2-phenylacetate

C8H5AgN2O6 — CID 87172221

IUPACsilver 2,2-dinitro-2-phenylacetate
SMILESO=C([O-])C(c1ccccc1)([N+](=O)[O-])[N+](=O)[O-].[Ag+]
InChIInChI=1S/C8H6N2O6.Ag/c11-7(12)8(9(13)14,10(15)16)6-4-2-1-3-5-6;/h1-5H,(H,11,12);/q;+1/p-1
InChIKeyOPRTZPXQFGVYIA-UHFFFAOYSA-M
MW333.00 g/mol
LogP-0.86
Rot. Bonds4

About silver 2,2-dinitro-2-phenylacetate

silver 2,2-dinitro-2-phenylacetate (PubChem CID 87172221) has the molecular formula C8H5AgN2O6 and a molecular weight of 333.00 g/mol. Its IUPAC name is silver 2,2-dinitro-2-phenylacetate.

Molecular Properties

Compound Namesilver 2,2-dinitro-2-phenylacetate
PubChem CID87172221
Molecular FormulaC8H5AgN2O6
Molecular Weight333.00 g/mol
Exact Mass331.92
IUPAC Namesilver 2,2-dinitro-2-phenylacetate
SMILESO=C([O-])C(c1ccccc1)([N+](=O)[O-])[N+](=O)[O-].[Ag+]
InChIInChI=1S/C8H6N2O6.Ag/c11-7(12)8(9(13)14,10(15)16)6-4-2-1-3-5-6;/h1-5H,(H,11,12);/q;+1/p-1
InChIKeyOPRTZPXQFGVYIA-UHFFFAOYSA-M
XLogP-0.86
TPSA126.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.00
LogP ≤ 5-0.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

calcium 2,2-diphenylpropanedioate
CID 153423965
dinitro(phenyl)methanesulfonic acid;hydrochloride
CID 172718924
2-hydroxy-2,2-diphenylacetate;hydrochloride
CID 21418239
2-amino-2-nitro-1,2-diphenylethanone
CID 174848999
magnesium bis(2-methyl-2-phenylpropanoate)
CID 141248278
sodium 2-methyl-2-phenylpropanoate
CID 141248267
(2S)-2-hydroxy-2-phenylpropanoate
CID 6932633
sodium;benzoic acid;nitrate
CID 157126281
1-chloro-1,3-dinitro-1-phenylpropan-2-one
CID 141190264
calcium 2-tert-butyl-2-phenylpropanedioate
CID 153423901
1,1,2-trinitroethylbenzene
CID 18981522
hydrazine;nitric acid;trifluoromethylbenzene
CID 174887362

Frequently Asked Questions

What is the IUPAC name of silver 2,2-dinitro-2-phenylacetate?
The IUPAC name of silver 2,2-dinitro-2-phenylacetate (CID 87172221) is silver 2,2-dinitro-2-phenylacetate.
What is the SMILES notation for silver 2,2-dinitro-2-phenylacetate?
The canonical SMILES for silver 2,2-dinitro-2-phenylacetate is O=C([O-])C(c1ccccc1)([N+](=O)[O-])[N+](=O)[O-].[Ag+].
What is the InChIKey of silver 2,2-dinitro-2-phenylacetate?
The InChIKey is OPRTZPXQFGVYIA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6N2O6.Ag/c11-7(12)8(9(13)14,10(15)16)6-4-2-1-3-5-6;/h1-5H,(H,11,12);/q;+1/p-1.
What are the key properties of silver 2,2-dinitro-2-phenylacetate?
silver 2,2-dinitro-2-phenylacetate has a molecular weight of 333.00 g/mol, XLogP of -0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for silver 2,2-dinitro-2-phenylacetate is sourced from PubChem (CID 87172221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).