4-chloro-1-methyl-1H-pyrrole-2-carboxylic acid

Base Information

• Chemical Name: 4-chloro-1-methyl-1H-pyrrole-2-carboxylic acid
• CAS No.: 877964-38-0
• Molecular Formula: C6H6ClNO2
• Molecular Weight: 159.57
• European Community (EC) Number: 868-083-3

Synonyms:4-chloro-1-methyl-1H-pyrrole-2-carboxylic acid;877964-38-0;4-chloro-1-methylpyrrole-2-carboxylic acid;SCHEMBL1277680;BLQFVHZDNOJQFF-UHFFFAOYSA-N;CKB96438;BBL025924;MFCD07850245;STL294799;AKOS009085956;SB63194;VS-08154;CS-0241853;EN300-23931;4-chloro-1-methyl-1H-pyrrole-2-carboxylicacid;Z166651272

Chemical Property of 4-chloro-1-methyl-1H-pyrrole-2-carboxylic acid

Chemical Property:

• PKA: 4.17±0.41(Predicted)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 159.0087061
• Heavy Atom Count: 10
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

4-chloro-1-methyl-1H-pyrrole-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CN1C=C(C=C1C(=O)O)Cl

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