magnesium;carbanide;methoxybenzene;hydrobromide

C8H11BrMgO — CID 87611842

IUPACmagnesium;carbanide;methoxybenzene;hydrobromide
SMILESBr.COc1cc[c-]cc1.[CH3-].[Mg+2]
InChIInChI=1S/C7H7O.CH3.BrH.Mg/c1-8-7-5-3-2-4-6-7;;;/h3-6H,1H3;1H3;1H;/q2*-1;;+2
InChIKeyAQNRRLRRYDPAPD-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.14
Rot. Bonds1

About magnesium;carbanide;methoxybenzene;hydrobromide

magnesium;carbanide;methoxybenzene;hydrobromide (PubChem CID 87611842) has the molecular formula C8H11BrMgO and a molecular weight of 227.38 g/mol. Its IUPAC name is magnesium;carbanide;methoxybenzene;hydrobromide.

Molecular Properties

Compound Namemagnesium;carbanide;methoxybenzene;hydrobromide
PubChem CID87611842
Molecular FormulaC8H11BrMgO
Molecular Weight227.38 g/mol
Exact Mass225.98
IUPAC Namemagnesium;carbanide;methoxybenzene;hydrobromide
SMILESBr.COc1cc[c-]cc1.[CH3-].[Mg+2]
InChIInChI=1S/C7H7O.CH3.BrH.Mg/c1-8-7-5-3-2-4-6-7;;;/h3-6H,1H3;1H3;1H;/q2*-1;;+2
InChIKeyAQNRRLRRYDPAPD-UHFFFAOYSA-N
XLogP2.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.14
H-Bond Donors ≤ 50
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;carbanide;methoxybenzene;hydrobromide?
The IUPAC name of magnesium;carbanide;methoxybenzene;hydrobromide (CID 87611842) is magnesium;carbanide;methoxybenzene;hydrobromide.
What is the SMILES notation for magnesium;carbanide;methoxybenzene;hydrobromide?
The canonical SMILES for magnesium;carbanide;methoxybenzene;hydrobromide is Br.COc1cc[c-]cc1.[CH3-].[Mg+2].
What is the InChIKey of magnesium;carbanide;methoxybenzene;hydrobromide?
The InChIKey is AQNRRLRRYDPAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O.CH3.BrH.Mg/c1-8-7-5-3-2-4-6-7;;;/h3-6H,1H3;1H3;1H;/q2*-1;;+2.
What are the key properties of magnesium;carbanide;methoxybenzene;hydrobromide?
magnesium;carbanide;methoxybenzene;hydrobromide has a molecular weight of 227.38 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;carbanide;methoxybenzene;hydrobromide is sourced from PubChem (CID 87611842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).