magnesium;6-bromo-7-chloro-1H-indole;1-bromo-2-chloro-3-nitrobenzene;ethene;oxolane;bromide

C20H19Br3Cl2MgN2O3 — CID 163673873

IUPACmagnesium;6-bromo-7-chloro-1H-indole;1-bromo-2-chloro-3-nitrobenzene;ethene;oxolane;bromide
SMILESC1CCOC1.Clc1c(Br)ccc2cc[nH]c12.O=[N+]([O-])c1cccc(Br)c1Cl.[Br-].[H][C-]=C.[Mg+2]
InChIInChI=1S/C8H5BrClN.C6H3BrClNO2.C4H8O.C2H3.BrH.Mg/c9-6-2-1-5-3-4-11-8(5)7(6)10;7-4-2-1-3-5(6(4)8)9(10)11;1-2-4-5-3-1;1-2;;/h1-4,11H;1-3H;1-4H2;1H,2H2;1H;/q;;;-1;;+2/p-1
InChIKeyKTAZILHYGLXALE-UHFFFAOYSA-M
MW670.31 g/mol
LogP4.62
Rot. Bonds1

About magnesium;6-bromo-7-chloro-1H-indole;1-bromo-2-chloro-3-nitrobenzene;ethene;oxolane;bromide

magnesium;6-bromo-7-chloro-1H-indole;1-bromo-2-chloro-3-nitrobenzene;ethene;oxolane;bromide (PubChem CID 163673873) has the molecular formula C20H19Br3Cl2MgN2O3 and a molecular weight of 670.31 g/mol. Its IUPAC name is magnesium;6-bromo-7-chloro-1H-indole;1-bromo-2-chloro-3-nitrobenzene;ethene;oxolane;bromide.

Molecular Properties

Compound Namemagnesium;6-bromo-7-chloro-1H-indole;1-bromo-2-chloro-3-nitrobenzene;ethene;oxolane;bromide
PubChem CID163673873
Molecular FormulaC20H19Br3Cl2MgN2O3
Molecular Weight670.31 g/mol
Exact Mass665.82
IUPAC Namemagnesium;6-bromo-7-chloro-1H-indole;1-bromo-2-chloro-3-nitrobenzene;ethene;oxolane;bromide
SMILESC1CCOC1.Clc1c(Br)ccc2cc[nH]c12.O=[N+]([O-])c1cccc(Br)c1Cl.[Br-].[H][C-]=C.[Mg+2]
InChIInChI=1S/C8H5BrClN.C6H3BrClNO2.C4H8O.C2H3.BrH.Mg/c9-6-2-1-5-3-4-11-8(5)7(6)10;7-4-2-1-3-5(6(4)8)9(10)11;1-2-4-5-3-1;1-2;;/h1-4,11H;1-3H;1-4H2;1H,2H2;1H;/q;;;-1;;+2/p-1
InChIKeyKTAZILHYGLXALE-UHFFFAOYSA-M
XLogP4.62
TPSA68.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500670.31
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze magnesium;6-bromo-7-chloro-1H-indole;1-bromo-2-chloro-3-nitrobenzene;ethene;oxolane;bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-2-chloro-3-nitrobenzene
CID 22736053
magnesium;2-chloro-3-nitropyridine;7-chloro-1H-pyrrolo[2,3-c]pyridine;ethene;methane;bromide
CID 162259079
7-nitro-1H-indole;2-nitrophenol
CID 159038784
6-bromo-2-chloro-3-nitrobenzenesulfonyl chloride
CID 172969836
2-chloro-1-(difluoromethyl)-3-nitrobenzene
CID 71239400
1-bromo-2-nitrobenzene
CID 158366116
7-chloro-5-(2-nitrophenyl)-1H-indole
CID 90257456
7-(3-nitronaphthalen-2-yl)-1H-indole
CID 142729174
oxan-4-yl 2-chloro-3-nitrobenzoate
CID 112580718
2-chloro-1-(18F)fluoro-3-nitrobenzene
CID 151209633
5-bromo-6,7-dichloro-1H-indole
CID 172639291
1-bromo-2-nitrobenzene;ethane
CID 91072043

Frequently Asked Questions

What is the IUPAC name of magnesium;6-bromo-7-chloro-1H-indole;1-bromo-2-chloro-3-nitrobenzene;ethene;oxolane;bromide?
The IUPAC name of magnesium;6-bromo-7-chloro-1H-indole;1-bromo-2-chloro-3-nitrobenzene;ethene;oxolane;bromide (CID 163673873) is magnesium;6-bromo-7-chloro-1H-indole;1-bromo-2-chloro-3-nitrobenzene;ethene;oxolane;bromide.
What is the SMILES notation for magnesium;6-bromo-7-chloro-1H-indole;1-bromo-2-chloro-3-nitrobenzene;ethene;oxolane;bromide?
The canonical SMILES for magnesium;6-bromo-7-chloro-1H-indole;1-bromo-2-chloro-3-nitrobenzene;ethene;oxolane;bromide is C1CCOC1.Clc1c(Br)ccc2cc[nH]c12.O=[N+]([O-])c1cccc(Br)c1Cl.[Br-].[H][C-]=C.[Mg+2].
What is the InChIKey of magnesium;6-bromo-7-chloro-1H-indole;1-bromo-2-chloro-3-nitrobenzene;ethene;oxolane;bromide?
The InChIKey is KTAZILHYGLXALE-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H5BrClN.C6H3BrClNO2.C4H8O.C2H3.BrH.Mg/c9-6-2-1-5-3-4-11-8(5)7(6)10;7-4-2-1-3-5(6(4)8)9(10)11;1-2-4-5-3-1;1-2;;/h1-4,11H;1-3H;1-4H2;1H,2H2;1H;/q;;;-1;;+2/p-1.
What are the key properties of magnesium;6-bromo-7-chloro-1H-indole;1-bromo-2-chloro-3-nitrobenzene;ethene;oxolane;bromide?
magnesium;6-bromo-7-chloro-1H-indole;1-bromo-2-chloro-3-nitrobenzene;ethene;oxolane;bromide has a molecular weight of 670.31 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;6-bromo-7-chloro-1H-indole;1-bromo-2-chloro-3-nitrobenzene;ethene;oxolane;bromide is sourced from PubChem (CID 163673873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).