dizinc;benzoate;borate

C7H5BO5Zn2 — CID 19995354

IUPACdizinc;benzoate;borate
SMILESO=C([O-])c1ccccc1.[O-]B([O-])[O-].[Zn+2].[Zn+2]
InChIInChI=1S/C7H6O2.BO3.2Zn/c8-7(9)6-4-2-1-3-5-6;2-1(3)4;;/h1-5H,(H,8,9);;;/q;-3;2*+2/p-1
InChIKeyTXFPRDTVXXTCAS-UHFFFAOYSA-M
MW310.70 g/mol
LogP-3.90
Rot. Bonds1

About dizinc;benzoate;borate

dizinc;benzoate;borate (PubChem CID 19995354) has the molecular formula C7H5BO5Zn2 and a molecular weight of 310.70 g/mol. Its IUPAC name is dizinc;benzoate;borate.

Molecular Properties

Compound Namedizinc;benzoate;borate
PubChem CID19995354
Molecular FormulaC7H5BO5Zn2
Molecular Weight310.70 g/mol
Exact Mass307.88
IUPAC Namedizinc;benzoate;borate
SMILESO=C([O-])c1ccccc1.[O-]B([O-])[O-].[Zn+2].[Zn+2]
InChIInChI=1S/C7H6O2.BO3.2Zn/c8-7(9)6-4-2-1-3-5-6;2-1(3)4;;/h1-5H,(H,8,9);;;/q;-3;2*+2/p-1
InChIKeyTXFPRDTVXXTCAS-UHFFFAOYSA-M
XLogP-3.90
TPSA109.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.70
LogP ≤ 5-3.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dizinc;benzoate;borate?
The IUPAC name of dizinc;benzoate;borate (CID 19995354) is dizinc;benzoate;borate.
What is the SMILES notation for dizinc;benzoate;borate?
The canonical SMILES for dizinc;benzoate;borate is O=C([O-])c1ccccc1.[O-]B([O-])[O-].[Zn+2].[Zn+2].
What is the InChIKey of dizinc;benzoate;borate?
The InChIKey is TXFPRDTVXXTCAS-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O2.BO3.2Zn/c8-7(9)6-4-2-1-3-5-6;2-1(3)4;;/h1-5H,(H,8,9);;;/q;-3;2*+2/p-1.
What are the key properties of dizinc;benzoate;borate?
dizinc;benzoate;borate has a molecular weight of 310.70 g/mol, XLogP of -3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;benzoate;borate is sourced from PubChem (CID 19995354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).