dicesium;2-(bromomethyl)-1,3-dichlorobenzene;2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetic acid;ethyl 2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetate;ethyl 2-(5-hydroxyspiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl)acetate;hydrogen carbonate

C65H67BrCl6Cs2N3O12+ — CID 158246902

About dicesium;2-(bromomethyl)-1,3-dichlorobenzene;2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetic acid;ethyl 2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetate;ethyl 2-(5-hydroxyspiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl)acetate;hydrogen carbonate

dicesium;2-(bromomethyl)-1,3-dichlorobenzene;2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetic acid;ethyl 2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetate;ethyl 2-(5-hydroxyspiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl)acetate;hydrogen carbonate (PubChem CID 158246902) has the molecular formula C65H67BrCl6Cs2N3O12+ and a molecular weight of 1640.69 g/mol. Its IUPAC name is dicesium;2-(bromomethyl)-1,3-dichlorobenzene;2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetic acid;ethyl 2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetate;ethyl 2-(5-hydroxyspiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl)acetate;hydrogen carbonate.

Molecular Properties

• Compound Name: dicesium;2-(bromomethyl)-1,3-dichlorobenzene;2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetic acid;ethyl 2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetate;ethyl 2-(5-hydroxyspiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl)acetate;hydrogen carbonate
• PubChem CID: 158246902
• Molecular Formula: C65H67BrCl6Cs2N3O12+
• Molecular Weight: 1640.69 g/mol
• Exact Mass: 1636.01
• IUPAC Name: dicesium;2-(bromomethyl)-1,3-dichlorobenzene;2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetic acid;ethyl 2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetate;ethyl 2-(5-hydroxyspiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl)acetate;hydrogen carbonate
• SMILES: CCOC(=O)CN1CC2(Cc3ccc(O)cc3C2)C1.CCOC(=O)CN1CC2(Cc3ccc(OCc4c(Cl)cccc4Cl)cc3C2)C1.Clc1cccc(Cl)c1CBr.O=C(O)CN1CC2(Cc3ccc(OCc4c(Cl)cccc4Cl)cc3C2)C1.O=C([O-])O.[Cs+].[Cs+]
• InChI: InChI=1S/C22H23Cl2NO3.C20H19Cl2NO3.C15H19NO3.C7H5BrCl2.CH2O3.2Cs/c1-2-27-21(26)11-25-13-22(14-25)9-15-6-7-17(8-16(15)10-22)28-12-18-19(23)4-3-5-20(18)24;21-17-2-1-3-18(22)16(17)10-26-15-5-4-13-7-20(8-14(13)6-15)11-23(12-20)9-19(24)25;1-2-19-14(18)8-16-9-15(10-16)6-11-3-4-13(17)5-12(11)7-15;8-4-5-6(9)2-1-3-7(5)10;2-1(3)4;;/h3-8H,2,9-14H2,1H3;1-6H,7-12H2,(H,24,25);3-5,17H,2,6-10H2,1H3;1-3H,4H2;(H2,2,3,4);;/q;;;;;2*+1/p-1
• InChIKey: GGFOXQINUWOFGS-UHFFFAOYSA-M
• XLogP: 6.73
• TPSA: 198.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1640.69
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;2-(bromomethyl)-1,3-dichlorobenzene;2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetic acid;ethyl 2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetate;ethyl 2-(5-hydroxyspiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl)acetate;hydrogen carbonate?

The IUPAC name of dicesium;2-(bromomethyl)-1,3-dichlorobenzene;2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetic acid;ethyl 2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetate;ethyl 2-(5-hydroxyspiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl)acetate;hydrogen carbonate (CID 158246902) is dicesium;2-(bromomethyl)-1,3-dichlorobenzene;2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetic acid;ethyl 2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetate;ethyl 2-(5-hydroxyspiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl)acetate;hydrogen carbonate.

What is the SMILES notation for dicesium;2-(bromomethyl)-1,3-dichlorobenzene;2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetic acid;ethyl 2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetate;ethyl 2-(5-hydroxyspiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl)acetate;hydrogen carbonate?

The canonical SMILES for dicesium;2-(bromomethyl)-1,3-dichlorobenzene;2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetic acid;ethyl 2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetate;ethyl 2-(5-hydroxyspiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl)acetate;hydrogen carbonate is CCOC(=O)CN1CC2(Cc3ccc(O)cc3C2)C1.CCOC(=O)CN1CC2(Cc3ccc(OCc4c(Cl)cccc4Cl)cc3C2)C1.Clc1cccc(Cl)c1CBr.O=C(O)CN1CC2(Cc3ccc(OCc4c(Cl)cccc4Cl)cc3C2)C1.O=C([O-])O.[Cs+].[Cs+].

What is the InChIKey of dicesium;2-(bromomethyl)-1,3-dichlorobenzene;2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetic acid;ethyl 2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetate;ethyl 2-(5-hydroxyspiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl)acetate;hydrogen carbonate?

The InChIKey is GGFOXQINUWOFGS-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H23Cl2NO3.C20H19Cl2NO3.C15H19NO3.C7H5BrCl2.CH2O3.2Cs/c1-2-27-21(26)11-25-13-22(14-25)9-15-6-7-17(8-16(15)10-22)28-12-18-19(23)4-3-5-20(18)24;21-17-2-1-3-18(22)16(17)10-26-15-5-4-13-7-20(8-14(13)6-15)11-23(12-20)9-19(24)25;1-2-19-14(18)8-16-9-15(10-16)6-11-3-4-13(17)5-12(11)7-15;8-4-5-6(9)2-1-3-7(5)10;2-1(3)4;;/h3-8H,2,9-14H2,1H3;1-6H,7-12H2,(H,24,25);3-5,17H,2,6-10H2,1H3;1-3H,4H2;(H2,2,3,4);;/q;;;;;2*+1/p-1.

What are the key properties of dicesium;2-(bromomethyl)-1,3-dichlorobenzene;2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetic acid;ethyl 2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetate;ethyl 2-(5-hydroxyspiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl)acetate;hydrogen carbonate?

dicesium;2-(bromomethyl)-1,3-dichlorobenzene;2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetic acid;ethyl 2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetate;ethyl 2-(5-hydroxyspiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl)acetate;hydrogen carbonate has a molecular weight of 1640.69 g/mol, XLogP of 6.73, 15 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;2-(bromomethyl)-1,3-dichlorobenzene;2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetic acid;ethyl 2-[5-[(2,6-dichlorophenyl)methoxy]spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetate;ethyl 2-(5-hydroxyspiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl)acetate;hydrogen carbonate is sourced from PubChem (CID 158246902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).