Benzoic acid, 3-(bromomethyl)-2-iodo-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 3-(bromomethyl)-2-iodo-, methyl ester
• CAS No.: 861840-50-8
• Molecular Formula: C9H8BrIO2
• Molecular Weight: 354.96700
• DSSTox Substance ID: DTXSID50460357
• Wikidata: Q82284380

Synonyms:Benzoic acid, 3-(bromomethyl)-2-iodo-, methyl ester;861840-50-8;methyl 3-(bromomethyl)-2-iodobenzoate;SCHEMBL6120117;DTXSID50460357

Chemical Property of Benzoic acid, 3-(bromomethyl)-2-iodo-, methyl ester

Chemical Property:

• PSA: 26.30000
• LogP: 2.97270
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 353.87524
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC(=C1I)CBr

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