silver 3-methyl-2-nitrobenzoate

C8H6AgNO4 — CID 162078770

IUPACsilver 3-methyl-2-nitrobenzoate
SMILESCc1cccc(C(=O)[O-])c1[N+](=O)[O-].[Ag+]
InChIInChI=1S/C8H7NO4.Ag/c1-5-3-2-4-6(8(10)11)7(5)9(12)13;/h2-4H,1H3,(H,10,11);/q;+1/p-1
InChIKeyZCBDEPONEUTHFL-UHFFFAOYSA-M
MW288.01 g/mol
LogP0.26
Rot. Bonds2

About silver 3-methyl-2-nitrobenzoate

silver 3-methyl-2-nitrobenzoate (PubChem CID 162078770) has the molecular formula C8H6AgNO4 and a molecular weight of 288.01 g/mol. Its IUPAC name is silver 3-methyl-2-nitrobenzoate.

Molecular Properties

Compound Namesilver 3-methyl-2-nitrobenzoate
PubChem CID162078770
Molecular FormulaC8H6AgNO4
Molecular Weight288.01 g/mol
Exact Mass286.93
IUPAC Namesilver 3-methyl-2-nitrobenzoate
SMILESCc1cccc(C(=O)[O-])c1[N+](=O)[O-].[Ag+]
InChIInChI=1S/C8H7NO4.Ag/c1-5-3-2-4-6(8(10)11)7(5)9(12)13;/h2-4H,1H3,(H,10,11);/q;+1/p-1
InChIKeyZCBDEPONEUTHFL-UHFFFAOYSA-M
XLogP0.26
TPSA83.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.01
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze silver 3-methyl-2-nitrobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-nitrobenzene-1,3-dicarboxylate
CID 19386615
3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide
CID 46520515
bis(2,3-dinitrobenzoate);nickel(2+)
CID 175806304
N,N-diethyl-3-methyl-2-nitrobenzamide
CID 2186690
3-acetamido-2-nitrobenzoate
CID 7154741
N'-tert-butyl-3-methyl-2-nitrobenzohydrazide
CID 141375033
3-methyl-2-nitro-N-(2,4,6-trimethylphenyl)benzamide
CID 4255599
(3-methyl-2-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
CID 4663299
N-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
CID 28739464
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methyl-2-nitrobenzamide
CID 107846757
(3-methyl-2-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51252177
(2-methoxyphenyl) 3-methyl-2-nitrobenzoate
CID 8778392

Frequently Asked Questions

What is the IUPAC name of silver 3-methyl-2-nitrobenzoate?
The IUPAC name of silver 3-methyl-2-nitrobenzoate (CID 162078770) is silver 3-methyl-2-nitrobenzoate.
What is the SMILES notation for silver 3-methyl-2-nitrobenzoate?
The canonical SMILES for silver 3-methyl-2-nitrobenzoate is Cc1cccc(C(=O)[O-])c1[N+](=O)[O-].[Ag+].
What is the InChIKey of silver 3-methyl-2-nitrobenzoate?
The InChIKey is ZCBDEPONEUTHFL-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7NO4.Ag/c1-5-3-2-4-6(8(10)11)7(5)9(12)13;/h2-4H,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of silver 3-methyl-2-nitrobenzoate?
silver 3-methyl-2-nitrobenzoate has a molecular weight of 288.01 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for silver 3-methyl-2-nitrobenzoate is sourced from PubChem (CID 162078770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).