2-bromo-3-iodothiophene

• ChemBase ID: 797208
• Molecular Formular: C4H2BrIS
• Molecular Mass: 288.93215
• Monoisotopic Mass: 287.81053106
• SMILES: s1c(c(cc1)I)Br
• Canonical SMILES: Ic1ccsc1Br
• InChI: InChI=1S/C4H2BrIS/c5-4-3(6)1-2-7-4/h1-2H
• InChIKey: YDISVLUEVDWDIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-iodothiophene
• IUPAC Traditional name: 2-bromo-3-iodothiophene
• Synonyms: 2-BroMo-3-iodothiophene

Database IDs

• CAS Number: 24287-92-1

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6173809
• LogD (pH = 7.4): 3.6173809
• Log P: 3.6173809
• Molar Refractivity: 43.309 cm^3
• Polarizability: 17.553617 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%