sodium;benzene;iodate

C6H6INaO3 — CID 159467735

IUPACsodium;benzene;iodate
SMILES[Na+].[O-][I+2]([O-])[O-].c1ccccc1
InChIInChI=1S/C6H6.IO3.Na/c1-2-4-6-5-3-1;2-1(3)4;/h1-6H;;/q;-1;+1
InChIKeyZMLDJVMAQQNWSS-UHFFFAOYSA-N
MW276.00 g/mol
LogP-7.87
Rot. Bonds

About sodium;benzene;iodate

sodium;benzene;iodate (PubChem CID 159467735) has the molecular formula C6H6INaO3 and a molecular weight of 276.00 g/mol. Its IUPAC name is sodium;benzene;iodate.

Molecular Properties

Compound Namesodium;benzene;iodate
PubChem CID159467735
Molecular FormulaC6H6INaO3
Molecular Weight276.00 g/mol
Exact Mass275.93
IUPAC Namesodium;benzene;iodate
SMILES[Na+].[O-][I+2]([O-])[O-].c1ccccc1
InChIInChI=1S/C6H6.IO3.Na/c1-2-4-6-5-3-1;2-1(3)4;/h1-6H;;/q;-1;+1
InChIKeyZMLDJVMAQQNWSS-UHFFFAOYSA-N
XLogP-7.87
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.00
LogP ≤ 5-7.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;benzene;iodate?
The IUPAC name of sodium;benzene;iodate (CID 159467735) is sodium;benzene;iodate.
What is the SMILES notation for sodium;benzene;iodate?
The canonical SMILES for sodium;benzene;iodate is [Na+].[O-][I+2]([O-])[O-].c1ccccc1.
What is the InChIKey of sodium;benzene;iodate?
The InChIKey is ZMLDJVMAQQNWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.IO3.Na/c1-2-4-6-5-3-1;2-1(3)4;/h1-6H;;/q;-1;+1.
What are the key properties of sodium;benzene;iodate?
sodium;benzene;iodate has a molecular weight of 276.00 g/mol, XLogP of -7.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;benzene;iodate is sourced from PubChem (CID 159467735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).