magnesium;1,2-dichlorobenzene-6-ide;propan-2-ol;hydrobromide

C9H12BrCl2MgO+ — CID 173442919

IUPACmagnesium;1,2-dichlorobenzene-6-ide;propan-2-ol;hydrobromide
SMILESBr.CC(C)O.Clc1[c-]cccc1Cl.[Mg+2]
InChIInChI=1S/C6H3Cl2.C3H8O.BrH.Mg/c7-5-3-1-2-4-6(5)8;1-3(2)4;;/h1-3H;3-4H,1-2H3;1H;/q-1;;;+2
InChIKeyZLIFDAFEAXRUPE-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.38
Rot. Bonds

About magnesium;1,2-dichlorobenzene-6-ide;propan-2-ol;hydrobromide

magnesium;1,2-dichlorobenzene-6-ide;propan-2-ol;hydrobromide (PubChem CID 173442919) has the molecular formula C9H12BrCl2MgO+ and a molecular weight of 311.31 g/mol. Its IUPAC name is magnesium;1,2-dichlorobenzene-6-ide;propan-2-ol;hydrobromide.

Molecular Properties

Compound Namemagnesium;1,2-dichlorobenzene-6-ide;propan-2-ol;hydrobromide
PubChem CID173442919
Molecular FormulaC9H12BrCl2MgO+
Molecular Weight311.31 g/mol
Exact Mass308.93
IUPAC Namemagnesium;1,2-dichlorobenzene-6-ide;propan-2-ol;hydrobromide
SMILESBr.CC(C)O.Clc1[c-]cccc1Cl.[Mg+2]
InChIInChI=1S/C6H3Cl2.C3H8O.BrH.Mg/c7-5-3-1-2-4-6(5)8;1-3(2)4;;/h1-3H;3-4H,1-2H3;1H;/q-1;;;+2
InChIKeyZLIFDAFEAXRUPE-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;1,2-dichlorobenzene-6-ide;propan-2-ol;hydrobromide?
The IUPAC name of magnesium;1,2-dichlorobenzene-6-ide;propan-2-ol;hydrobromide (CID 173442919) is magnesium;1,2-dichlorobenzene-6-ide;propan-2-ol;hydrobromide.
What is the SMILES notation for magnesium;1,2-dichlorobenzene-6-ide;propan-2-ol;hydrobromide?
The canonical SMILES for magnesium;1,2-dichlorobenzene-6-ide;propan-2-ol;hydrobromide is Br.CC(C)O.Clc1[c-]cccc1Cl.[Mg+2].
What is the InChIKey of magnesium;1,2-dichlorobenzene-6-ide;propan-2-ol;hydrobromide?
The InChIKey is ZLIFDAFEAXRUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2.C3H8O.BrH.Mg/c7-5-3-1-2-4-6(5)8;1-3(2)4;;/h1-3H;3-4H,1-2H3;1H;/q-1;;;+2.
What are the key properties of magnesium;1,2-dichlorobenzene-6-ide;propan-2-ol;hydrobromide?
magnesium;1,2-dichlorobenzene-6-ide;propan-2-ol;hydrobromide has a molecular weight of 311.31 g/mol, XLogP of 3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,2-dichlorobenzene-6-ide;propan-2-ol;hydrobromide is sourced from PubChem (CID 173442919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).