magnesium;bromobenzene;chloride

C6H4BrClMg — CID 44603715

IUPACmagnesium;bromobenzene;chloride
SMILESBrc1cc[c-]cc1.[Cl-].[Mg+2]
InChIInChI=1S/C6H4Br.ClH.Mg/c7-6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1
InChIKeyPTXIFGMYCGQWOD-UHFFFAOYSA-M
MW215.76 g/mol
LogP-1.13
Rot. Bonds

About magnesium;bromobenzene;chloride

magnesium;bromobenzene;chloride (PubChem CID 44603715) has the molecular formula C6H4BrClMg and a molecular weight of 215.76 g/mol. Its IUPAC name is magnesium;bromobenzene;chloride.

Molecular Properties

Compound Namemagnesium;bromobenzene;chloride
PubChem CID44603715
Molecular FormulaC6H4BrClMg
Molecular Weight215.76 g/mol
Exact Mass213.90
IUPAC Namemagnesium;bromobenzene;chloride
SMILESBrc1cc[c-]cc1.[Cl-].[Mg+2]
InChIInChI=1S/C6H4Br.ClH.Mg/c7-6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1
InChIKeyPTXIFGMYCGQWOD-UHFFFAOYSA-M
XLogP-1.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.76
LogP ≤ 5-1.13
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;bromobenzene;chloride?
The IUPAC name of magnesium;bromobenzene;chloride (CID 44603715) is magnesium;bromobenzene;chloride.
What is the SMILES notation for magnesium;bromobenzene;chloride?
The canonical SMILES for magnesium;bromobenzene;chloride is Brc1cc[c-]cc1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;bromobenzene;chloride?
The InChIKey is PTXIFGMYCGQWOD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4Br.ClH.Mg/c7-6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;bromobenzene;chloride?
magnesium;bromobenzene;chloride has a molecular weight of 215.76 g/mol, XLogP of -1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;bromobenzene;chloride is sourced from PubChem (CID 44603715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).