magnesium;tert-butyl 4-chloro-7-methoxyindole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4-chloro-7-methoxy-1H-indole;[4-chloro-7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;4-chloro-1-methoxy-2-nitrobenzene;4-chloro-2-nitrophenol;ethene;oxolane;bromide

C66H80BBrCl5MgN5O21 — CID 157293142

About magnesium;tert-butyl 4-chloro-7-methoxyindole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4-chloro-7-methoxy-1H-indole;[4-chloro-7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;4-chloro-1-methoxy-2-nitrobenzene;4-chloro-2-nitrophenol;ethene;oxolane;bromide

magnesium;tert-butyl 4-chloro-7-methoxyindole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4-chloro-7-methoxy-1H-indole;[4-chloro-7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;4-chloro-1-methoxy-2-nitrobenzene;4-chloro-2-nitrophenol;ethene;oxolane;bromide (PubChem CID 157293142) has the molecular formula C66H80BBrCl5MgN5O21 and a molecular weight of 1571.67 g/mol. Its IUPAC name is magnesium;tert-butyl 4-chloro-7-methoxyindole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4-chloro-7-methoxy-1H-indole;[4-chloro-7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;4-chloro-1-methoxy-2-nitrobenzene;4-chloro-2-nitrophenol;ethene;oxolane;bromide.

Molecular Properties

• Compound Name: magnesium;tert-butyl 4-chloro-7-methoxyindole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4-chloro-7-methoxy-1H-indole;[4-chloro-7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;4-chloro-1-methoxy-2-nitrobenzene;4-chloro-2-nitrophenol;ethene;oxolane;bromide
• PubChem CID: 157293142
• Molecular Formula: C66H80BBrCl5MgN5O21
• Molecular Weight: 1571.67 g/mol
• Exact Mass: 1567.29
• IUPAC Name: magnesium;tert-butyl 4-chloro-7-methoxyindole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4-chloro-7-methoxy-1H-indole;[4-chloro-7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;4-chloro-1-methoxy-2-nitrobenzene;4-chloro-2-nitrophenol;ethene;oxolane;bromide
• SMILES: C1CCOC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.COc1ccc(Cl)c2cc(B(O)O)n(C(=O)OC(C)(C)C)c12.COc1ccc(Cl)c2cc[nH]c12.COc1ccc(Cl)c2ccn(C(=O)OC(C)(C)C)c12.COc1ccc(Cl)cc1[N+](=O)[O-].O=[N+]([O-])c1cc(Cl)ccc1O.[Br-].[H][C-]=C.[Mg+2]
• InChI: InChI=1S/C14H17BClNO5.C14H16ClNO3.C10H18O5.C9H8ClNO.C7H6ClNO3.C6H4ClNO3.C4H8O.C2H3.BrH.Mg/c1-14(2,3)22-13(18)17-11(15(19)20)7-8-9(16)5-6-10(21-4)12(8)17;1-14(2,3)19-13(17)16-8-7-9-10(15)5-6-11(18-4)12(9)16;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-12-8-3-2-7(10)6-4-5-11-9(6)8;1-12-7-3-2-5(8)4-6(7)9(10)11;7-4-1-2-6(9)5(3-4)8(10)11;1-2-4-5-3-1;1-2;;/h5-7,19-20H,1-4H3;5-8H,1-4H3;1-6H3;2-5,11H,1H3;2-4H,1H3;1-3,9H;1-4H2;1H,2H2;1H;/q;;;;;;;-1;;+2/p-1
• InChIKey: OEGDXIYEFHBFFF-UHFFFAOYSA-M
• XLogP: 13.79
• TPSA: 333.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 7
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1571.67
LogP ≤ 5	13.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;tert-butyl 4-chloro-7-methoxyindole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4-chloro-7-methoxy-1H-indole;[4-chloro-7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;4-chloro-1-methoxy-2-nitrobenzene;4-chloro-2-nitrophenol;ethene;oxolane;bromide?

The IUPAC name of magnesium;tert-butyl 4-chloro-7-methoxyindole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4-chloro-7-methoxy-1H-indole;[4-chloro-7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;4-chloro-1-methoxy-2-nitrobenzene;4-chloro-2-nitrophenol;ethene;oxolane;bromide (CID 157293142) is magnesium;tert-butyl 4-chloro-7-methoxyindole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4-chloro-7-methoxy-1H-indole;[4-chloro-7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;4-chloro-1-methoxy-2-nitrobenzene;4-chloro-2-nitrophenol;ethene;oxolane;bromide.

What is the SMILES notation for magnesium;tert-butyl 4-chloro-7-methoxyindole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4-chloro-7-methoxy-1H-indole;[4-chloro-7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;4-chloro-1-methoxy-2-nitrobenzene;4-chloro-2-nitrophenol;ethene;oxolane;bromide?

The canonical SMILES for magnesium;tert-butyl 4-chloro-7-methoxyindole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4-chloro-7-methoxy-1H-indole;[4-chloro-7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;4-chloro-1-methoxy-2-nitrobenzene;4-chloro-2-nitrophenol;ethene;oxolane;bromide is C1CCOC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.COc1ccc(Cl)c2cc(B(O)O)n(C(=O)OC(C)(C)C)c12.COc1ccc(Cl)c2cc[nH]c12.COc1ccc(Cl)c2ccn(C(=O)OC(C)(C)C)c12.COc1ccc(Cl)cc1[N+](=O)[O-].O=[N+]([O-])c1cc(Cl)ccc1O.[Br-].[H][C-]=C.[Mg+2].

What is the InChIKey of magnesium;tert-butyl 4-chloro-7-methoxyindole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4-chloro-7-methoxy-1H-indole;[4-chloro-7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;4-chloro-1-methoxy-2-nitrobenzene;4-chloro-2-nitrophenol;ethene;oxolane;bromide?

The InChIKey is OEGDXIYEFHBFFF-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H17BClNO5.C14H16ClNO3.C10H18O5.C9H8ClNO.C7H6ClNO3.C6H4ClNO3.C4H8O.C2H3.BrH.Mg/c1-14(2,3)22-13(18)17-11(15(19)20)7-8-9(16)5-6-10(21-4)12(8)17;1-14(2,3)19-13(17)16-8-7-9-10(15)5-6-11(18-4)12(9)16;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-12-8-3-2-7(10)6-4-5-11-9(6)8;1-12-7-3-2-5(8)4-6(7)9(10)11;7-4-1-2-6(9)5(3-4)8(10)11;1-2-4-5-3-1;1-2;;/h5-7,19-20H,1-4H3;5-8H,1-4H3;1-6H3;2-5,11H,1H3;2-4H,1H3;1-3,9H;1-4H2;1H,2H2;1H;/q;;;;;;;-1;;+2/p-1.

What are the key properties of magnesium;tert-butyl 4-chloro-7-methoxyindole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4-chloro-7-methoxy-1H-indole;[4-chloro-7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;4-chloro-1-methoxy-2-nitrobenzene;4-chloro-2-nitrophenol;ethene;oxolane;bromide?

magnesium;tert-butyl 4-chloro-7-methoxyindole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4-chloro-7-methoxy-1H-indole;[4-chloro-7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;4-chloro-1-methoxy-2-nitrobenzene;4-chloro-2-nitrophenol;ethene;oxolane;bromide has a molecular weight of 1571.67 g/mol, XLogP of 13.79, 7 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;tert-butyl 4-chloro-7-methoxyindole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4-chloro-7-methoxy-1H-indole;[4-chloro-7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;4-chloro-1-methoxy-2-nitrobenzene;4-chloro-2-nitrophenol;ethene;oxolane;bromide is sourced from PubChem (CID 157293142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).