4-Chloro-1-methyl-5-nitro-1H-pyrazole-3-carboxylic acid

Base Information

• Chemical Name: 4-Chloro-1-methyl-5-nitro-1H-pyrazole-3-carboxylic acid
• CAS No.: 84547-90-0
• Molecular Formula: C₅H₄ClN₃O₄
• Molecular Weight: 205.557
• DSSTox Substance ID: DTXSID201206211

Synonyms:84547-90-0;4-Chloro-1-methyl-5-nitro-1H-pyrazole-3-carboxylic acid;DTXSID201206211

Chemical Property of 4-Chloro-1-methyl-5-nitro-1H-pyrazole-3-carboxylic acid

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 204.9890333
• Heavy Atom Count: 13
• Complexity: 242

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CN1C(=C(C(=N1)C(=O)O)Cl)[N+](=O)[O-]

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