sodium;4-bromo-2,6-dichloroaniline;2-(4-bromo-2,6-dichloroanilino)benzoic acid;2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoic acid;ethanol;ethyl 2-(4-bromo-2,6-dichloroanilino)benzoate;ethyl 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate;2-iodobenzoic acid;methane;hydroxide

C84H80Br3Cl10IN7NaO14 — CID 162189130

About sodium;4-bromo-2,6-dichloroaniline;2-(4-bromo-2,6-dichloroanilino)benzoic acid;2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoic acid;ethanol;ethyl 2-(4-bromo-2,6-dichloroanilino)benzoate;ethyl 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate;2-iodobenzoic acid;methane;hydroxide

sodium;4-bromo-2,6-dichloroaniline;2-(4-bromo-2,6-dichloroanilino)benzoic acid;2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoic acid;ethanol;ethyl 2-(4-bromo-2,6-dichloroanilino)benzoate;ethyl 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate;2-iodobenzoic acid;methane;hydroxide (PubChem CID 162189130) has the molecular formula C84H80Br3Cl10IN7NaO14 and a molecular weight of 2155.73 g/mol. Its IUPAC name is sodium;4-bromo-2,6-dichloroaniline;2-(4-bromo-2,6-dichloroanilino)benzoic acid;2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoic acid;ethanol;ethyl 2-(4-bromo-2,6-dichloroanilino)benzoate;ethyl 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate;2-iodobenzoic acid;methane;hydroxide.

Molecular Properties

• Compound Name: sodium;4-bromo-2,6-dichloroaniline;2-(4-bromo-2,6-dichloroanilino)benzoic acid;2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoic acid;ethanol;ethyl 2-(4-bromo-2,6-dichloroanilino)benzoate;ethyl 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate;2-iodobenzoic acid;methane;hydroxide
• PubChem CID: 162189130
• Molecular Formula: C84H80Br3Cl10IN7NaO14
• Molecular Weight: 2155.73 g/mol
• Exact Mass: 2146.91
• IUPAC Name: sodium;4-bromo-2,6-dichloroaniline;2-(4-bromo-2,6-dichloroanilino)benzoic acid;2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoic acid;ethanol;ethyl 2-(4-bromo-2,6-dichloroanilino)benzoate;ethyl 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate;2-iodobenzoic acid;methane;hydroxide
• SMILES: C.C.C.CCO.CCOC(=O)c1ccccc1Nc1c(Cl)cc(-c2c(C)noc2C)cc1Cl.CCOC(=O)c1ccccc1Nc1c(Cl)cc(Br)cc1Cl.Cc1noc(C)c1-c1cc(Cl)c(Nc2ccccc2C(=O)O)c(Cl)c1.Nc1c(Cl)cc(Br)cc1Cl.O=C(O)c1ccccc1I.O=C(O)c1ccccc1Nc1c(Cl)cc(Br)cc1Cl.[Na+].[OH-]
• InChI: InChI=1S/C20H18Cl2N2O3.C18H14Cl2N2O3.C15H12BrCl2NO2.C13H8BrCl2NO2.C7H5IO2.C6H4BrCl2N.C2H6O.3CH4.Na.H2O/c1-4-26-20(25)14-7-5-6-8-17(14)23-19-15(21)9-13(10-16(19)22)18-11(2)24-27-12(18)3;1-9-16(10(2)25-22-9)11-7-13(19)17(14(20)8-11)21-15-6-4-3-5-12(15)18(23)24;1-2-21-15(20)10-5-3-4-6-13(10)19-14-11(17)7-9(16)8-12(14)18;14-7-5-9(15)12(10(16)6-7)17-11-4-2-1-3-8(11)13(18)19;8-6-4-2-1-3-5(6)7(9)10;7-3-1-4(8)6(10)5(9)2-3;1-2-3;;;;;/h5-10,23H,4H2,1-3H3;3-8,21H,1-2H3,(H,23,24);3-8,19H,2H2,1H3;1-6,17H,(H,18,19);1-4H,(H,9,10);1-2H,10H2;3H,2H2,1H3;3*1H4;;1H2/q;;;;;;;;;;+1;/p-1
• InChIKey: ZQBGPNYOUWVOBH-UHFFFAOYSA-M
• XLogP: 26.83
• TPSA: 340.93 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2155.73
LogP ≤ 5	26.83
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;4-bromo-2,6-dichloroaniline;2-(4-bromo-2,6-dichloroanilino)benzoic acid;2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoic acid;ethanol;ethyl 2-(4-bromo-2,6-dichloroanilino)benzoate;ethyl 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate;2-iodobenzoic acid;methane;hydroxide?

The IUPAC name of sodium;4-bromo-2,6-dichloroaniline;2-(4-bromo-2,6-dichloroanilino)benzoic acid;2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoic acid;ethanol;ethyl 2-(4-bromo-2,6-dichloroanilino)benzoate;ethyl 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate;2-iodobenzoic acid;methane;hydroxide (CID 162189130) is sodium;4-bromo-2,6-dichloroaniline;2-(4-bromo-2,6-dichloroanilino)benzoic acid;2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoic acid;ethanol;ethyl 2-(4-bromo-2,6-dichloroanilino)benzoate;ethyl 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate;2-iodobenzoic acid;methane;hydroxide.

What is the SMILES notation for sodium;4-bromo-2,6-dichloroaniline;2-(4-bromo-2,6-dichloroanilino)benzoic acid;2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoic acid;ethanol;ethyl 2-(4-bromo-2,6-dichloroanilino)benzoate;ethyl 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate;2-iodobenzoic acid;methane;hydroxide?

The canonical SMILES for sodium;4-bromo-2,6-dichloroaniline;2-(4-bromo-2,6-dichloroanilino)benzoic acid;2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoic acid;ethanol;ethyl 2-(4-bromo-2,6-dichloroanilino)benzoate;ethyl 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate;2-iodobenzoic acid;methane;hydroxide is C.C.C.CCO.CCOC(=O)c1ccccc1Nc1c(Cl)cc(-c2c(C)noc2C)cc1Cl.CCOC(=O)c1ccccc1Nc1c(Cl)cc(Br)cc1Cl.Cc1noc(C)c1-c1cc(Cl)c(Nc2ccccc2C(=O)O)c(Cl)c1.Nc1c(Cl)cc(Br)cc1Cl.O=C(O)c1ccccc1I.O=C(O)c1ccccc1Nc1c(Cl)cc(Br)cc1Cl.[Na+].[OH-].

What is the InChIKey of sodium;4-bromo-2,6-dichloroaniline;2-(4-bromo-2,6-dichloroanilino)benzoic acid;2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoic acid;ethanol;ethyl 2-(4-bromo-2,6-dichloroanilino)benzoate;ethyl 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate;2-iodobenzoic acid;methane;hydroxide?

The InChIKey is ZQBGPNYOUWVOBH-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H18Cl2N2O3.C18H14Cl2N2O3.C15H12BrCl2NO2.C13H8BrCl2NO2.C7H5IO2.C6H4BrCl2N.C2H6O.3CH4.Na.H2O/c1-4-26-20(25)14-7-5-6-8-17(14)23-19-15(21)9-13(10-16(19)22)18-11(2)24-27-12(18)3;1-9-16(10(2)25-22-9)11-7-13(19)17(14(20)8-11)21-15-6-4-3-5-12(15)18(23)24;1-2-21-15(20)10-5-3-4-6-13(10)19-14-11(17)7-9(16)8-12(14)18;14-7-5-9(15)12(10(16)6-7)17-11-4-2-1-3-8(11)13(18)19;8-6-4-2-1-3-5(6)7(9)10;7-3-1-4(8)6(10)5(9)2-3;1-2-3;;;;;/h5-10,23H,4H2,1-3H3;3-8,21H,1-2H3,(H,23,24);3-8,19H,2H2,1H3;1-6,17H,(H,18,19);1-4H,(H,9,10);1-2H,10H2;3H,2H2,1H3;3*1H4;;1H2/q;;;;;;;;;;+1;/p-1.

What are the key properties of sodium;4-bromo-2,6-dichloroaniline;2-(4-bromo-2,6-dichloroanilino)benzoic acid;2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoic acid;ethanol;ethyl 2-(4-bromo-2,6-dichloroanilino)benzoate;ethyl 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate;2-iodobenzoic acid;methane;hydroxide?

sodium;4-bromo-2,6-dichloroaniline;2-(4-bromo-2,6-dichloroanilino)benzoic acid;2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoic acid;ethanol;ethyl 2-(4-bromo-2,6-dichloroanilino)benzoate;ethyl 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate;2-iodobenzoic acid;methane;hydroxide has a molecular weight of 2155.73 g/mol, XLogP of 26.83, 17 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-bromo-2,6-dichloroaniline;2-(4-bromo-2,6-dichloroanilino)benzoic acid;2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoic acid;ethanol;ethyl 2-(4-bromo-2,6-dichloroanilino)benzoate;ethyl 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate;2-iodobenzoic acid;methane;hydroxide is sourced from PubChem (CID 162189130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).