sodium 2-iodooxybenzoate

C7H4INaO3 — CID 23692012

IUPACsodium 2-iodooxybenzoate
SMILESO=C([O-])c1ccccc1OI.[Na+]
InChIInChI=1S/C7H5IO3.Na/c8-11-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
InChIKeyCQWKAUGBIJMRNE-UHFFFAOYSA-M
MW286.00 g/mol
LogP-2.22
Rot. Bonds2

About sodium 2-iodooxybenzoate

sodium 2-iodooxybenzoate (PubChem CID 23692012) has the molecular formula C7H4INaO3 and a molecular weight of 286.00 g/mol. Its IUPAC name is sodium 2-iodooxybenzoate.

Molecular Properties

Compound Namesodium 2-iodooxybenzoate
PubChem CID23692012
Molecular FormulaC7H4INaO3
Molecular Weight286.00 g/mol
Exact Mass285.91
IUPAC Namesodium 2-iodooxybenzoate
SMILESO=C([O-])c1ccccc1OI.[Na+]
InChIInChI=1S/C7H5IO3.Na/c8-11-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
InChIKeyCQWKAUGBIJMRNE-UHFFFAOYSA-M
XLogP-2.22
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.00
LogP ≤ 5-2.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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disodium;hydron;phthalate
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sodium;2-acetyloxybenzoate;carbonic acid
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sodium 2-(2-hydroxybenzoyl)oxybenzoate
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2-(trifluoromethoxy)benzoate
CID 6933714
pentakis(lead(2+));phthalate
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disilver;phthalate
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trimagnesium;phthalate
CID 142758668
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CID 155293254
nickel(2+);phthalate
CID 15798393
sodium 2-(2,2,2-trifluoroethoxy)benzoate
CID 23667245
2-(4-phenoxyphenoxy)benzoate
CID 6946814

Frequently Asked Questions

What is the IUPAC name of sodium 2-iodooxybenzoate?
The IUPAC name of sodium 2-iodooxybenzoate (CID 23692012) is sodium 2-iodooxybenzoate.
What is the SMILES notation for sodium 2-iodooxybenzoate?
The canonical SMILES for sodium 2-iodooxybenzoate is O=C([O-])c1ccccc1OI.[Na+].
What is the InChIKey of sodium 2-iodooxybenzoate?
The InChIKey is CQWKAUGBIJMRNE-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5IO3.Na/c8-11-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1.
What are the key properties of sodium 2-iodooxybenzoate?
sodium 2-iodooxybenzoate has a molecular weight of 286.00 g/mol, XLogP of -2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-iodooxybenzoate is sourced from PubChem (CID 23692012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).