5-(2-Chlorobenzoyl)-6-methyl-2H-1,3-benzodioxole-2-carboxylic acid

Base Information

• Chemical Name: 5-(2-Chlorobenzoyl)-6-methyl-2H-1,3-benzodioxole-2-carboxylic acid
• CAS No.: 91196-90-6
• Molecular Formula: C16H11ClO5
• DSSTox Substance ID: DTXSID70606735

Synonyms:91196-90-6;SCHEMBL11007689;DTXSID70606735;5-(2-Chlorobenzoyl)-6-methyl-2H-1,3-benzodioxole-2-carboxylic acid

Chemical Property of 5-(2-Chlorobenzoyl)-6-methyl-2H-1,3-benzodioxole-2-carboxylic acid

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 318.0295011
• Heavy Atom Count: 22
• Complexity: 454

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Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1C(=O)C3=CC=CC=C3Cl)OC(O2)C(=O)O

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