2-(bromomethyl)-5-chlorothiophene

• ChemBase ID: 282262
• Molecular Formular: C5H4BrClS
• Molecular Mass: 211.50726
• Monoisotopic Mass: 209.89056081
• SMILES: s1c(ccc1CBr)Cl
• Canonical SMILES: Clc1ccc(s1)CBr
• InChI: InChI=1S/C5H4BrClS/c6-3-4-1-2-5(7)8-4/h1-2H,3H2
• InChIKey: NFNNZPYIRODXQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomethyl)-5-chlorothiophene
• IUPAC Traditional name: 2-(bromomethyl)-5-chlorothiophene
• Synonyms: 2-(bromomethyl)-5-chlorothiophene

Database IDs

• MDL Number: MFCD17480536
• PubChem SID: 180667793
• PubChem CID: 12245924

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4289052
• LogD (pH = 7.4): 3.4289052
• Log P: 3.4289052
• Molar Refractivity: 39.763 cm^3
• Polarizability: 15.681734 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.325

Product Information

• Purity: 95%