Methyl 4-nitro-1H-pyrrole-3-carboxylate

Base Information

• Chemical Name: Methyl 4-nitro-1H-pyrrole-3-carboxylate
• CAS No.: 1195901-57-5
• Molecular Formula: C6H6N2O4
• Molecular Weight: 170.12284
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60694126
• Wikidata: Q82623108
• Mol file: 1195901-57-5.mol

Synonyms:Methyl 4-nitro-1H-pyrrole-3-carboxylate;1195901-57-5;DTXSID60694126;AKOS006317451;SB63738;Methyl4-nitro-1H-pyrrole-3-carboxylate

Chemical Property of Methyl 4-nitro-1H-pyrrole-3-carboxylate

Chemical Property:

• PSA: 87.91000
• LogP: 1.23270
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 170.03275668
• Heavy Atom Count: 12
• Complexity: 200

Purity/Quality:

99%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CNC=C1[N+](=O)[O-]