2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;chloromethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;methane;nitric acid;bis(nitrooxymethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;tetrachlorozirconium

C72H67AgCl10N3O24Zr — CID 159958985

IUPAC2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;chloromethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;methane;nitric acid;bis(nitrooxymethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;tetrachlorozirconium
SMILESC.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)Cl.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)OCCl.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)OCO[N+](=O)[O-].CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)OCO[N+](=O)[O-].Cl[Zr](Cl)(Cl)Cl.O=[N+]([O-])O.[Ag]
InChIInChI=1S/C18H16Cl2O4.2C18H16ClNO7.C17H14Cl2O3.CH4.Ag.4ClH.HNO3.Zr/c1-18(2,17(22)23-11-19)24-15-9-5-13(6-10-15)16(21)12-3-7-14(20)8-4-12;2*1-18(2,17(22)25-11-26-20(23)24)27-15-9-5-13(6-10-15)16(21)12-3-7-14(19)8-4-12;1-17(2,16(19)21)22-14-9-5-12(6-10-14)15(20)11-3-7-13(18)8-4-11;;;;;;;2-1(3)4;/h3-10H,11H2,1-2H3;2*3-10H,11H2,1-2H3;3-10H,1-2H3;1H4;;4*1H;(H,2,3,4);/q;;;;;;;;;;;+4/p-4
InChIKeyBIWVNQXAKRWLPS-UHFFFAOYSA-J
MW1911.95 g/mol
LogP18.88
Rot. Bonds27

About 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;chloromethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;methane;nitric acid;bis(nitrooxymethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;tetrachlorozirconium

2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;chloromethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;methane;nitric acid;bis(nitrooxymethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;tetrachlorozirconium (PubChem CID 159958985) has the molecular formula C72H67AgCl10N3O24Zr and a molecular weight of 1911.95 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;chloromethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;methane;nitric acid;bis(nitrooxymethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;tetrachlorozirconium.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;chloromethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;methane;nitric acid;bis(nitrooxymethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;tetrachlorozirconium
PubChem CID159958985
Molecular FormulaC72H67AgCl10N3O24Zr
Molecular Weight1911.95 g/mol
Exact Mass1903.91
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;chloromethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;methane;nitric acid;bis(nitrooxymethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;tetrachlorozirconium
SMILESC.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)Cl.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)OCCl.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)OCO[N+](=O)[O-].CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)OCO[N+](=O)[O-].Cl[Zr](Cl)(Cl)Cl.O=[N+]([O-])O.[Ag]
InChIInChI=1S/C18H16Cl2O4.2C18H16ClNO7.C17H14Cl2O3.CH4.Ag.4ClH.HNO3.Zr/c1-18(2,17(22)23-11-19)24-15-9-5-13(6-10-15)16(21)12-3-7-14(20)8-4-12;2*1-18(2,17(22)25-11-26-20(23)24)27-15-9-5-13(6-10-15)16(21)12-3-7-14(19)8-4-12;1-17(2,16(19)21)22-14-9-5-12(6-10-14)15(20)11-3-7-13(18)8-4-11;;;;;;;2-1(3)4;/h3-10H,11H2,1-2H3;2*3-10H,11H2,1-2H3;3-10H,1-2H3;1H4;;4*1H;(H,2,3,4);/q;;;;;;;;;;;+4/p-4
InChIKeyBIWVNQXAKRWLPS-UHFFFAOYSA-J
XLogP18.88
TPSA369.28 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds27
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001911.95
LogP ≤ 518.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;chloromethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;methane;nitric acid;bis(nitrooxymethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;tetrachlorozirconium with MolForge

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Related Compounds

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
propyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 71360491
(2-methylpropan-2-yl)oxycarbonyloxymethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 56666790
N-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]oxymethanimine oxide
CID 58329127
[3-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]amino]-2,2-dimethylpropyl] nitrate
CID 25143517
tert-butyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 21299693
9-bromononyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 141493265
but-3-enyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 163297688
3-bromopropan-1-ol;3-bromopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;nitric acid;bis(3-nitrosooxypropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver
CID 159530306
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;dihydrate
CID 70531737
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydroiodide
CID 175590665
N-(2-aminoethyl)-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide
CID 58219036

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;chloromethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;methane;nitric acid;bis(nitrooxymethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;tetrachlorozirconium?
The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;chloromethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;methane;nitric acid;bis(nitrooxymethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;tetrachlorozirconium (CID 159958985) is 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;chloromethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;methane;nitric acid;bis(nitrooxymethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;tetrachlorozirconium.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;chloromethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;methane;nitric acid;bis(nitrooxymethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;tetrachlorozirconium?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;chloromethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;methane;nitric acid;bis(nitrooxymethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;tetrachlorozirconium is C.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)Cl.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)OCCl.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)OCO[N+](=O)[O-].CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)OCO[N+](=O)[O-].Cl[Zr](Cl)(Cl)Cl.O=[N+]([O-])O.[Ag].
What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;chloromethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;methane;nitric acid;bis(nitrooxymethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;tetrachlorozirconium?
The InChIKey is BIWVNQXAKRWLPS-UHFFFAOYSA-J. The full InChI is InChI=1S/C18H16Cl2O4.2C18H16ClNO7.C17H14Cl2O3.CH4.Ag.4ClH.HNO3.Zr/c1-18(2,17(22)23-11-19)24-15-9-5-13(6-10-15)16(21)12-3-7-14(20)8-4-12;2*1-18(2,17(22)25-11-26-20(23)24)27-15-9-5-13(6-10-15)16(21)12-3-7-14(19)8-4-12;1-17(2,16(19)21)22-14-9-5-12(6-10-14)15(20)11-3-7-13(18)8-4-11;;;;;;;2-1(3)4;/h3-10H,11H2,1-2H3;2*3-10H,11H2,1-2H3;3-10H,1-2H3;1H4;;4*1H;(H,2,3,4);/q;;;;;;;;;;;+4/p-4.
What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;chloromethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;methane;nitric acid;bis(nitrooxymethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;tetrachlorozirconium?
2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;chloromethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;methane;nitric acid;bis(nitrooxymethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;tetrachlorozirconium has a molecular weight of 1911.95 g/mol, XLogP of 18.88, 27 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl chloride;chloromethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;methane;nitric acid;bis(nitrooxymethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);silver;tetrachlorozirconium is sourced from PubChem (CID 159958985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).