4-(3-Bromobenzoyl)-1H-pyrrole-2-carboxylic acid

Base Information

• Chemical Name: 4-(3-Bromobenzoyl)-1H-pyrrole-2-carboxylic acid
• CAS No.: 924868-86-0
• Molecular Formula: C12H8BrNO3
• Molecular Weight: 294.10
• DSSTox Substance ID: DTXSID401241409
• Mol file: 924868-86-0.mol

Synonyms:4-(3-Bromobenzoyl)-1H-pyrrole-2-carboxylic acid;924868-86-0;DTXSID401241409;MFCD08443968;AKOS005072031;CA-0718;SB62558;CS-0325798;4-(3-Bromobenzoyl)-1H-pyrrole-2-carboxylicacid;A909922

Chemical Property of 4-(3-Bromobenzoyl)-1H-pyrrole-2-carboxylic acid

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 292.96876
• Heavy Atom Count: 17
• Complexity: 321

Purity/Quality:

98%min ^*data from raw suppliers

4-(3-Bromobenzoyl)-1H-pyrrole-2-carboxylic acid >95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)C(=O)C2=CNC(=C2)C(=O)O