bromozinc(1+);phenylbenzene

C12H9BrZn — CID 133144519

IUPACbromozinc(1+);phenylbenzene
SMILES[Zn+]Br.[c-]1cccc(-c2ccccc2)c1
InChIInChI=1S/C12H9.BrH.Zn/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h1-5,7-10H;1H;/q-1;;+2/p-1
InChIKeySDLROJMDSKHAEY-UHFFFAOYSA-M
MW298.50 g/mol
LogP4.00
Rot. Bonds1

About bromozinc(1+);phenylbenzene

bromozinc(1+);phenylbenzene (PubChem CID 133144519) has the molecular formula C12H9BrZn and a molecular weight of 298.50 g/mol. Its IUPAC name is bromozinc(1+);phenylbenzene.

Molecular Properties

Compound Namebromozinc(1+);phenylbenzene
PubChem CID133144519
Molecular FormulaC12H9BrZn
Molecular Weight298.50 g/mol
Exact Mass295.92
IUPAC Namebromozinc(1+);phenylbenzene
SMILES[Zn+]Br.[c-]1cccc(-c2ccccc2)c1
InChIInChI=1S/C12H9.BrH.Zn/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h1-5,7-10H;1H;/q-1;;+2/p-1
InChIKeySDLROJMDSKHAEY-UHFFFAOYSA-M
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bromozinc(1+);1-tert-butyl-4-phenylbenzene
CID 146002241
phenylbenzene
CID 15377226
dilithium;phenylbenzene
CID 6101598
magnesium;1-methyl-4-phenylbenzene;bromide
CID 91655477
carbanide;iridium;2-methylpyrrol-1-ide;phenylbenzene
CID 59336501
lithium 1-phenyl-3-(6-phenylhexyl)benzene
CID 166571161
phenylbenzene;titanium
CID 174362051
benzene;tris(1,1'-biphenyl)
CID 162155747
magnesium;1,3-diphenylbenzene-5-ide;chloride
CID 90343387
1,1'-biphenyl;mercury
CID 67099988
1,1'-biphenyl;hydrofluoride
CID 67516975
1,1'-biphenyl;indigane
CID 174363765

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);phenylbenzene?
The IUPAC name of bromozinc(1+);phenylbenzene (CID 133144519) is bromozinc(1+);phenylbenzene.
What is the SMILES notation for bromozinc(1+);phenylbenzene?
The canonical SMILES for bromozinc(1+);phenylbenzene is [Zn+]Br.[c-]1cccc(-c2ccccc2)c1.
What is the InChIKey of bromozinc(1+);phenylbenzene?
The InChIKey is SDLROJMDSKHAEY-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H9.BrH.Zn/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h1-5,7-10H;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);phenylbenzene?
bromozinc(1+);phenylbenzene has a molecular weight of 298.50 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);phenylbenzene is sourced from PubChem (CID 133144519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).