methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate

Base Information

• Chemical Name: methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate
• CAS No.: 298187-65-2
• Molecular Formula: C16H12 N2 O4
• Molecular Weight: 296.27748
• DSSTox Substance ID: DTXSID10369458
• Wikidata: Q82156542
• Mol file: 298187-65-2.mol

Synonyms:methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate;298187-65-2;METHYL5-NITRO-3-PHENYL-1H-INDOLE-2-CARBOXYLATE;SCHEMBL18092632;DTXSID10369458;CCG-247910;SR-01000003859;SR-01000003859-1

Chemical Property of methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate

Chemical Property:

• PSA: 87.91000
• LogP: 4.05290
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 296.07970687
• Heavy Atom Count: 22
• Complexity: 430

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=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3