3-nitro-2-(pyrazin-2-ylamino)benzoic Acid

Base Information

• Chemical Name: 3-nitro-2-(pyrazin-2-ylamino)benzoic Acid
• CAS No.: 394655-21-1
• Molecular Formula: C11H8 N4 O4
• Molecular Weight: 260.21
• DSSTox Substance ID: DTXSID80378012
• Wikidata: Q82167437
• Mol file: 394655-21-1.mol

Synonyms:394655-21-1;3-nitro-2-(pyrazin-2-ylamino)benzoic Acid;2-(PYRAZIN-2-YLAMINO)-3-NITROBENZOIC ACID;DTXSID80378012;3-nitro-2-(pyrazin-2-ylamino)benzoicAcid

Chemical Property of 3-nitro-2-(pyrazin-2-ylamino)benzoic Acid

Chemical Property:

• Boiling Point: 439.5±45.0 °C(Predicted)
• PKA: 2.49±0.10(Predicted)
• PSA: 120.93000
• Density: 1.564±0.06 g/cm3(Predicted)
• LogP: 2.42280
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 260.05455475
• Heavy Atom Count: 19
• Complexity: 346

Purity/Quality:

98% ^*data from raw suppliers

2-(PYRAZIN-2-YLAMINO)-3-NITROBENZOIC ACID 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])NC2=NC=CN=C2)C(=O)O