bromozinc(1+);methanidylbenzene

C7H7BrZn — CID 6101044

IUPACbromozinc(1+);methanidylbenzene
SMILES[CH2-]c1ccccc1.[Zn+]Br
InChIInChI=1S/C7H7.BrH.Zn/c1-7-5-3-2-4-6-7;;/h2-6H,1H2;1H;/q-1;;+2/p-1
InChIKeyWRSWIWOVJBYZAW-UHFFFAOYSA-M
MW236.43 g/mol
LogP2.71
Rot. Bonds

About bromozinc(1+);methanidylbenzene

bromozinc(1+);methanidylbenzene (PubChem CID 6101044) has the molecular formula C7H7BrZn and a molecular weight of 236.43 g/mol. Its IUPAC name is bromozinc(1+);methanidylbenzene.

Molecular Properties

Compound Namebromozinc(1+);methanidylbenzene
PubChem CID6101044
Molecular FormulaC7H7BrZn
Molecular Weight236.43 g/mol
Exact Mass233.90
IUPAC Namebromozinc(1+);methanidylbenzene
SMILES[CH2-]c1ccccc1.[Zn+]Br
InChIInChI=1S/C7H7.BrH.Zn/c1-7-5-3-2-4-6-7;;/h2-6H,1H2;1H;/q-1;;+2/p-1
InChIKeyWRSWIWOVJBYZAW-UHFFFAOYSA-M
XLogP2.71
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 ≤ 52.71
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+);methanidylbenzene?
The IUPAC name of bromozinc(1+);methanidylbenzene (CID 6101044) is bromozinc(1+);methanidylbenzene.
What is the SMILES notation for bromozinc(1+);methanidylbenzene?
The canonical SMILES for bromozinc(1+);methanidylbenzene is [CH2-]c1ccccc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);methanidylbenzene?
The InChIKey is WRSWIWOVJBYZAW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7.BrH.Zn/c1-7-5-3-2-4-6-7;;/h2-6H,1H2;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);methanidylbenzene?
bromozinc(1+);methanidylbenzene has a molecular weight of 236.43 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);methanidylbenzene is sourced from PubChem (CID 6101044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).