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

C7H6ClFMg — CID 54711287

IUPACmagnesium;1-fluoro-2-methylbenzene-3-ide;chloride
SMILESCc1[c-]cccc1F.[Cl-].[Mg+2]
InChIInChI=1S/C7H6F.ClH.Mg/c1-6-4-2-3-5-7(6)8;;/h2-3,5H,1H3;1H;/q-1;;+2/p-1
InChIKeyCWJCJDHRMGBCQD-UHFFFAOYSA-M
MW168.88 g/mol
LogP-1.44
Rot. Bonds

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

magnesium;1-fluoro-2-methylbenzene-3-ide;chloride (PubChem CID 54711287) has the molecular formula C7H6ClFMg and a molecular weight of 168.88 g/mol. Its IUPAC name is magnesium;1-fluoro-2-methylbenzene-3-ide;chloride.

Molecular Properties

Compound Namemagnesium;1-fluoro-2-methylbenzene-3-ide;chloride
PubChem CID54711287
Molecular FormulaC7H6ClFMg
Molecular Weight168.88 g/mol
Exact Mass168.00
IUPAC Namemagnesium;1-fluoro-2-methylbenzene-3-ide;chloride
SMILESCc1[c-]cccc1F.[Cl-].[Mg+2]
InChIInChI=1S/C7H6F.ClH.Mg/c1-6-4-2-3-5-7(6)8;;/h2-3,5H,1H3;1H;/q-1;;+2/p-1
InChIKeyCWJCJDHRMGBCQD-UHFFFAOYSA-M
XLogP-1.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.88
LogP ≤ 5-1.44
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-fluoro-2-methylbenzene-3-ide;chloride?
The IUPAC name of magnesium;1-fluoro-2-methylbenzene-3-ide;chloride (CID 54711287) is magnesium;1-fluoro-2-methylbenzene-3-ide;chloride.
What is the SMILES notation for magnesium;1-fluoro-2-methylbenzene-3-ide;chloride?
The canonical SMILES for magnesium;1-fluoro-2-methylbenzene-3-ide;chloride is Cc1[c-]cccc1F.[Cl-].[Mg+2].
What is the InChIKey of magnesium;1-fluoro-2-methylbenzene-3-ide;chloride?
The InChIKey is CWJCJDHRMGBCQD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6F.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-fluoro-2-methylbenzene-3-ide;chloride?
magnesium;1-fluoro-2-methylbenzene-3-ide;chloride has a molecular weight of 168.88 g/mol, XLogP of -1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-fluoro-2-methylbenzene-3-ide;chloride is sourced from PubChem (CID 54711287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).