2-(2-nitrophenyl)thiophene

• ChemBase ID: 252146
• Molecular Formular: C10H7NO2S
• Molecular Mass: 205.23308
• Monoisotopic Mass: 205.01974947
• SMILES: [N+](=O)(c1c(c2sccc2)cccc1)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccccc1c1cccs1
• InChI: InChI=1S/C10H7NO2S/c12-11(13)9-5-2-1-4-8(9)10-6-3-7-14-10/h1-7H
• InChIKey: ZURZUPKWSBYZKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-nitrophenyl)thiophene
• IUPAC Traditional name: 2-(2-nitrophenyl)thiophene
• Synonyms: 2-(2-nitrophenyl)thiophene

Database IDs

• MDL Number: MFCD08239610
• PubChem SID: 164308056
• PubChem CID: 9167261

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3376033
• LogD (pH = 7.4): 3.3376033
• Log P: 3.3376033
• Molar Refractivity: 55.4088 cm^3
• Polarizability: 21.79426 Å^3
• Polar Surface Area: 45.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.647

Product Information

• Purity: 95%