4-(2-Bromoanilino)-4-oxobut-2-enoic acid

Base Information

• Chemical Name: 4-(2-Bromoanilino)-4-oxobut-2-enoic acid
• CAS No.: 59652-95-8
• Molecular Formula: C10H8BrNO3
• Molecular Weight: 270.07900
• DSSTox Substance ID: DTXSID20351788

Synonyms:3-[(2-bromophenyl)carbamoyl]prop-2-enoic acid;CBMicro_009046;4-(2-bromoanilino)-4-oxobut-2-enoic acid;DTXSID20351788

Chemical Property of 4-(2-Bromoanilino)-4-oxobut-2-enoic acid

Chemical Property:

• PSA: 69.89000
• LogP: 2.67790
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 268.96876
• Heavy Atom Count: 15
• Complexity: 278

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)NC(=O)C=CC(=O)O)Br

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