2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;nitric acid;bis(nitro 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;thionyl dichloride

C68H58AgCl7N3O23S — CID 161393666

About 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;nitric acid;bis(nitro 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;thionyl dichloride

2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;nitric acid;bis(nitro 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;thionyl dichloride (PubChem CID 161393666) has the molecular formula C68H58AgCl7N3O23S and a molecular weight of 1673.32 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;nitric acid;bis(nitro 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;thionyl dichloride.

Molecular Properties

• Compound Name: 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;nitric acid;bis(nitro 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;thionyl dichloride
• PubChem CID: 161393666
• Molecular Formula: C68H58AgCl7N3O23S
• Molecular Weight: 1673.32 g/mol
• Exact Mass: 1668.01
• IUPAC Name: 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;nitric acid;bis(nitro 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;thionyl dichloride
• SMILES: CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)Cl.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O[N+](=O)[O-].CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O[N+](=O)[O-].O=S(Cl)Cl.O=[N+]([O-])O.[Ag]
• InChI: InChI=1S/C17H14Cl2O3.2C17H14ClNO6.C17H15ClO4.Ag.Cl2OS.HNO3/c1-17(2,16(19)21)22-14-9-5-12(6-10-14)15(20)11-3-7-13(18)8-4-11;2*1-17(2,16(21)25-19(22)23)24-14-9-5-12(6-10-14)15(20)11-3-7-13(18)8-4-11;1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11;;1-4(2)3;2-1(3)4/h3-10H,1-2H3;2*3-10H,1-2H3;3-10H,1-2H3,(H,20,21);;;(H,2,3,4)
• InChIKey: BYTQTLYLJLSTHA-UHFFFAOYSA-N
• XLogP: 15.93
• TPSA: 378.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1673.32
LogP ≤ 5	15.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;nitric acid;bis(nitro 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;thionyl dichloride?

The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;nitric acid;bis(nitro 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;thionyl dichloride (CID 161393666) is 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;nitric acid;bis(nitro 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;thionyl dichloride.

What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;nitric acid;bis(nitro 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;thionyl dichloride?

The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;nitric acid;bis(nitro 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;thionyl dichloride is CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)Cl.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O[N+](=O)[O-].CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O[N+](=O)[O-].O=S(Cl)Cl.O=[N+]([O-])O.[Ag].

What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;nitric acid;bis(nitro 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;thionyl dichloride?

The InChIKey is BYTQTLYLJLSTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O3.2C17H14ClNO6.C17H15ClO4.Ag.Cl2OS.HNO3/c1-17(2,16(19)21)22-14-9-5-12(6-10-14)15(20)11-3-7-13(18)8-4-11;2*1-17(2,16(21)25-19(22)23)24-14-9-5-12(6-10-14)15(20)11-3-7-13(18)8-4-11;1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11;;1-4(2)3;2-1(3)4/h3-10H,1-2H3;2*3-10H,1-2H3;3-10H,1-2H3,(H,20,21);;;(H,2,3,4).

What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;nitric acid;bis(nitro 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;thionyl dichloride?

2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;nitric acid;bis(nitro 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;thionyl dichloride has a molecular weight of 1673.32 g/mol, XLogP of 15.93, 22 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;nitric acid;bis(nitro 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;thionyl dichloride is sourced from PubChem (CID 161393666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).