magnesium;benzylbenzene;bromide

C13H11BrMg — CID 85435877

IUPACmagnesium;benzylbenzene;bromide
SMILES[Br-].[Mg+2].[c-]1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H11.BrH.Mg/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;/h1,3-10H,11H2;1H;/q-1;;+2/p-1
InChIKeyMTCWSNZFBAXQHI-UHFFFAOYSA-M
MW271.44 g/mol
LogP-0.30
Rot. Bonds2

About magnesium;benzylbenzene;bromide

magnesium;benzylbenzene;bromide (PubChem CID 85435877) has the molecular formula C13H11BrMg and a molecular weight of 271.44 g/mol. Its IUPAC name is magnesium;benzylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;benzylbenzene;bromide
PubChem CID85435877
Molecular FormulaC13H11BrMg
Molecular Weight271.44 g/mol
Exact Mass269.99
IUPAC Namemagnesium;benzylbenzene;bromide
SMILES[Br-].[Mg+2].[c-]1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H11.BrH.Mg/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;/h1,3-10H,11H2;1H;/q-1;;+2/p-1
InChIKeyMTCWSNZFBAXQHI-UHFFFAOYSA-M
XLogP-0.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 5-0.30
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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Related Compounds

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CID 54117827
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Frequently Asked Questions

What is the IUPAC name of magnesium;benzylbenzene;bromide?
The IUPAC name of magnesium;benzylbenzene;bromide (CID 85435877) is magnesium;benzylbenzene;bromide.
What is the SMILES notation for magnesium;benzylbenzene;bromide?
The canonical SMILES for magnesium;benzylbenzene;bromide is [Br-].[Mg+2].[c-]1ccc(Cc2ccccc2)cc1.
What is the InChIKey of magnesium;benzylbenzene;bromide?
The InChIKey is MTCWSNZFBAXQHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11.BrH.Mg/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;/h1,3-10H,11H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;benzylbenzene;bromide?
magnesium;benzylbenzene;bromide has a molecular weight of 271.44 g/mol, XLogP of -0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;benzylbenzene;bromide is sourced from PubChem (CID 85435877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).