bromozinc(1+);methylbenzene

C7H7BrZn — CID 54768244

IUPACbromozinc(1+);methylbenzene
SMILESCc1[c-]cccc1.[Zn+]Br
InChIInChI=1S/C7H7.BrH.Zn/c1-7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q-1;;+2/p-1
InChIKeyAKOIXBBWZZJAOF-UHFFFAOYSA-M
MW236.43 g/mol
LogP2.64
Rot. Bonds

About bromozinc(1+);methylbenzene

bromozinc(1+);methylbenzene (PubChem CID 54768244) has the molecular formula C7H7BrZn and a molecular weight of 236.43 g/mol. Its IUPAC name is bromozinc(1+);methylbenzene.

Molecular Properties

Compound Namebromozinc(1+);methylbenzene
PubChem CID54768244
Molecular FormulaC7H7BrZn
Molecular Weight236.43 g/mol
Exact Mass233.90
IUPAC Namebromozinc(1+);methylbenzene
SMILESCc1[c-]cccc1.[Zn+]Br
InChIInChI=1S/C7H7.BrH.Zn/c1-7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q-1;;+2/p-1
InChIKeyAKOIXBBWZZJAOF-UHFFFAOYSA-M
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 52.64
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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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);methylbenzene?
The IUPAC name of bromozinc(1+);methylbenzene (CID 54768244) is bromozinc(1+);methylbenzene.
What is the SMILES notation for bromozinc(1+);methylbenzene?
The canonical SMILES for bromozinc(1+);methylbenzene is Cc1[c-]cccc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);methylbenzene?
The InChIKey is AKOIXBBWZZJAOF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7.BrH.Zn/c1-7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);methylbenzene?
bromozinc(1+);methylbenzene has a molecular weight of 236.43 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);methylbenzene is sourced from PubChem (CID 54768244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).