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

Base Information

• Chemical Name: 4-bromo-1-methyl-3-nitro-1H-pyrazole-5-carboxylic acid
• CAS No.: 84547-89-7
• Molecular Formula: C₅H₄BrN₃O₄
• Molecular Weight: 250.008
• DSSTox Substance ID: DTXSID80511321
• Wikidata: Q82370067

Synonyms:4-bromo-1-methyl-3-nitro-1H-pyrazole-5-carboxylic acid;84547-89-7;4-BROMO-2-METHYL-5-NITROPYRAZOLE-3-CARBOXYLIC ACID;SCHEMBL6787292;DTXSID80511321;LRZZZPBEOYZOHW-UHFFFAOYSA-N;AKOS000308893;AKOS015922648;CS-0264261;EN300-92483;4-bromo-1-methyl-3-nitro-1H-pyrazole-5-carboxylicacid

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

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 248.93852
• Heavy Atom Count: 13
• Complexity: 242

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

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

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