2-(2-bromophenyl)thiophene

• ChemBase ID: 77175
• Molecular Formular: C10H7BrS
• Molecular Mass: 239.13158
• Monoisotopic Mass: 237.94518322
• SMILES: s1cccc1c1ccccc1Br
• Canonical SMILES: Brc1ccccc1c1cccs1
• InChI: InChI=1S/C10H7BrS/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-7H
• InChIKey: GBJBSICXZXSQAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromophenyl)thiophene
• IUPAC Traditional name: 2-(2-bromophenyl)thiophene
• Synonyms: 2-(2-bromophenyl)thiophene; 2-(Thien-2-yl)bromobenzene; 2-(2-Bromophenyl)thiophene 97%

Database IDs

• CAS Number: 106851-53-0
• MDL Number: MFCD06797480
• PubChem SID: 162042049
• PubChem CID: 2795560

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.166372
• LogD (pH = 7.4): 4.166372
• Log P: 4.166372
• Molar Refractivity: 55.7069 cm^3
• Polarizability: 22.609413 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 95%; 95+%