magnesium;1-chloro-2-methylbenzene-3-ide;chloride

C7H6Cl2Mg — CID 13362203

IUPACmagnesium;1-chloro-2-methylbenzene-3-ide;chloride
SMILESCc1[c-]cccc1Cl.[Cl-].[Mg+2]
InChIInChI=1S/C7H6Cl.ClH.Mg/c1-6-4-2-3-5-7(6)8;;/h2-3,5H,1H3;1H;/q-1;;+2/p-1
InChIKeyXOQUHOHHGPIIHN-UHFFFAOYSA-M
MW185.34 g/mol
LogP-0.93
Rot. Bonds

About magnesium;1-chloro-2-methylbenzene-3-ide;chloride

magnesium;1-chloro-2-methylbenzene-3-ide;chloride (PubChem CID 13362203) has the molecular formula C7H6Cl2Mg and a molecular weight of 185.34 g/mol. Its IUPAC name is magnesium;1-chloro-2-methylbenzene-3-ide;chloride.

Molecular Properties

Compound Namemagnesium;1-chloro-2-methylbenzene-3-ide;chloride
PubChem CID13362203
Molecular FormulaC7H6Cl2Mg
Molecular Weight185.34 g/mol
Exact Mass183.97
IUPAC Namemagnesium;1-chloro-2-methylbenzene-3-ide;chloride
SMILESCc1[c-]cccc1Cl.[Cl-].[Mg+2]
InChIInChI=1S/C7H6Cl.ClH.Mg/c1-6-4-2-3-5-7(6)8;;/h2-3,5H,1H3;1H;/q-1;;+2/p-1
InChIKeyXOQUHOHHGPIIHN-UHFFFAOYSA-M
XLogP-0.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 5-0.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-chloro-2-methylbenzene-3-ide;chloride?
The IUPAC name of magnesium;1-chloro-2-methylbenzene-3-ide;chloride (CID 13362203) is magnesium;1-chloro-2-methylbenzene-3-ide;chloride.
What is the SMILES notation for magnesium;1-chloro-2-methylbenzene-3-ide;chloride?
The canonical SMILES for magnesium;1-chloro-2-methylbenzene-3-ide;chloride is Cc1[c-]cccc1Cl.[Cl-].[Mg+2].
What is the InChIKey of magnesium;1-chloro-2-methylbenzene-3-ide;chloride?
The InChIKey is XOQUHOHHGPIIHN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6Cl.ClH.Mg/c1-6-4-2-3-5-7(6)8;;/h2-3,5H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-chloro-2-methylbenzene-3-ide;chloride?
magnesium;1-chloro-2-methylbenzene-3-ide;chloride has a molecular weight of 185.34 g/mol, XLogP of -0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-chloro-2-methylbenzene-3-ide;chloride is sourced from PubChem (CID 13362203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).