cesium;zinc;dibromide;formate

CHBr2CsO2Zn — CID 173220412

IUPACcesium;zinc;dibromide;formate
SMILESO=C[O-].[Br-].[Br-].[Cs+].[Zn+2]
InChIInChI=1S/CH2O2.2BrH.Cs.Zn/c2-1-3;;;;/h1H,(H,2,3);2*1H;;/q;;;+1;+2/p-3
InChIKeyLDGQWNNMCAXHMJ-UHFFFAOYSA-K
MW403.12 g/mol
LogP-10.62
Rot. Bonds

About cesium;zinc;dibromide;formate

cesium;zinc;dibromide;formate (PubChem CID 173220412) has the molecular formula CHBr2CsO2Zn and a molecular weight of 403.12 g/mol. Its IUPAC name is cesium;zinc;dibromide;formate.

Molecular Properties

Compound Namecesium;zinc;dibromide;formate
PubChem CID173220412
Molecular FormulaCHBr2CsO2Zn
Molecular Weight403.12 g/mol
Exact Mass399.67
IUPAC Namecesium;zinc;dibromide;formate
SMILESO=C[O-].[Br-].[Br-].[Cs+].[Zn+2]
InChIInChI=1S/CH2O2.2BrH.Cs.Zn/c2-1-3;;;;/h1H,(H,2,3);2*1H;;/q;;;+1;+2/p-3
InChIKeyLDGQWNNMCAXHMJ-UHFFFAOYSA-K
XLogP-10.62
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.12
LogP ≤ 5-10.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cesium;zinc;dibromide;formate?
The IUPAC name of cesium;zinc;dibromide;formate (CID 173220412) is cesium;zinc;dibromide;formate.
What is the SMILES notation for cesium;zinc;dibromide;formate?
The canonical SMILES for cesium;zinc;dibromide;formate is O=C[O-].[Br-].[Br-].[Cs+].[Zn+2].
What is the InChIKey of cesium;zinc;dibromide;formate?
The InChIKey is LDGQWNNMCAXHMJ-UHFFFAOYSA-K. The full InChI is InChI=1S/CH2O2.2BrH.Cs.Zn/c2-1-3;;;;/h1H,(H,2,3);2*1H;;/q;;;+1;+2/p-3.
What are the key properties of cesium;zinc;dibromide;formate?
cesium;zinc;dibromide;formate has a molecular weight of 403.12 g/mol, XLogP of -10.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;zinc;dibromide;formate is sourced from PubChem (CID 173220412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).