bromozinc(1+);1-nitroethene

C2H2BrNO2Zn — CID 134902173

IUPACbromozinc(1+);1-nitroethene
SMILES[H]/[C-]=C\[N+](=O)[O-].[Zn+]Br
InChIInChI=1S/C2H2NO2.BrH.Zn/c1-2-3(4)5;;/h1-2H;1H;/q-1;;+2/p-1
InChIKeyGESBLAPYBMCRNJ-UHFFFAOYSA-M
MW217.34 g/mol
LogP1.05
Rot. Bonds1

About bromozinc(1+);1-nitroethene

bromozinc(1+);1-nitroethene (PubChem CID 134902173) has the molecular formula C2H2BrNO2Zn and a molecular weight of 217.34 g/mol. Its IUPAC name is bromozinc(1+);1-nitroethene.

Molecular Properties

Compound Namebromozinc(1+);1-nitroethene
PubChem CID134902173
Molecular FormulaC2H2BrNO2Zn
Molecular Weight217.34 g/mol
Exact Mass214.86
IUPAC Namebromozinc(1+);1-nitroethene
SMILES[H]/[C-]=C\[N+](=O)[O-].[Zn+]Br
InChIInChI=1S/C2H2NO2.BrH.Zn/c1-2-3(4)5;;/h1-2H;1H;/q-1;;+2/p-1
InChIKeyGESBLAPYBMCRNJ-UHFFFAOYSA-M
XLogP1.05
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1-nitroethene?
The IUPAC name of bromozinc(1+);1-nitroethene (CID 134902173) is bromozinc(1+);1-nitroethene.
What is the SMILES notation for bromozinc(1+);1-nitroethene?
The canonical SMILES for bromozinc(1+);1-nitroethene is [H]/[C-]=C\[N+](=O)[O-].[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-nitroethene?
The InChIKey is GESBLAPYBMCRNJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H2NO2.BrH.Zn/c1-2-3(4)5;;/h1-2H;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-nitroethene?
bromozinc(1+);1-nitroethene has a molecular weight of 217.34 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-nitroethene is sourced from PubChem (CID 134902173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).