3-Iodobenzoate

Base Information

• Chemical Name: 3-Iodobenzoate
• CAS No.: 7229-06-3
• Molecular Formula: C₉H₈N₄O₄S*ClH
• Molecular Weight: 304.714
• DSSTox Substance ID: DTXSID50412932
• Wikidata: Q82220645

Synonyms:3-iodobenzoate;3-iodobenzoic acid;3-iodobenzoic acid, 123I-labeled;3-iodobenzoic acid, 131I-labeled;3-iodobenzoic acid, sodium salt;3-iodobenzoic acid, sodium salt, 131I-labeled;m-iodobenzoate

Chemical Property of 3-Iodobenzoate

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 246.92560
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)I)C(=O)[O-]

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