bromozinc(1+);phenoxybenzene

C12H9BrOZn — CID 86060228

IUPACbromozinc(1+);phenoxybenzene
SMILES[Zn+]Br.[c-]1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H9O.BrH.Zn/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1,3-10H;1H;/q-1;;+2/p-1
InChIKeyNLOUZMBNUHTYJT-UHFFFAOYSA-M
MW314.50 g/mol
LogP4.12
Rot. Bonds2

About bromozinc(1+);phenoxybenzene

bromozinc(1+);phenoxybenzene (PubChem CID 86060228) has the molecular formula C12H9BrOZn and a molecular weight of 314.50 g/mol. Its IUPAC name is bromozinc(1+);phenoxybenzene.

Molecular Properties

Compound Namebromozinc(1+);phenoxybenzene
PubChem CID86060228
Molecular FormulaC12H9BrOZn
Molecular Weight314.50 g/mol
Exact Mass311.91
IUPAC Namebromozinc(1+);phenoxybenzene
SMILES[Zn+]Br.[c-]1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H9O.BrH.Zn/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1,3-10H;1H;/q-1;;+2/p-1
InChIKeyNLOUZMBNUHTYJT-UHFFFAOYSA-M
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);phenoxybenzene?
The IUPAC name of bromozinc(1+);phenoxybenzene (CID 86060228) is bromozinc(1+);phenoxybenzene.
What is the SMILES notation for bromozinc(1+);phenoxybenzene?
The canonical SMILES for bromozinc(1+);phenoxybenzene is [Zn+]Br.[c-]1ccc(Oc2ccccc2)cc1.
What is the InChIKey of bromozinc(1+);phenoxybenzene?
The InChIKey is NLOUZMBNUHTYJT-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H9O.BrH.Zn/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1,3-10H;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);phenoxybenzene?
bromozinc(1+);phenoxybenzene has a molecular weight of 314.50 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);phenoxybenzene is sourced from PubChem (CID 86060228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).