3-(bromomethyl)-2-chlorothiophene

• ChemBase ID: 288471
• Molecular Formular: C5H4BrClS
• Molecular Mass: 211.50726
• Monoisotopic Mass: 209.89056081
• SMILES: Clc1c(CBr)ccs1
• Canonical SMILES: Clc1sccc1CBr
• InChI: InChI=1S/C5H4BrClS/c6-3-4-1-2-8-5(4)7/h1-2H,3H2
• InChIKey: MEOQMCFEBDERJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(bromomethyl)-2-chlorothiophene
• IUPAC Traditional name: 3-(bromomethyl)-2-chlorothiophene
• Synonyms: 3-(Bromomethyl)-2-chlorothiophene

Database IDs

• CAS Number: 40032-81-3
• MDL Number: MFCD06411087
• PubChem SID: 180674002
• PubChem CID: 10932747

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2964659
• LogD (pH = 7.4): 3.2964659
• Log P: 3.2964659
• Molar Refractivity: 39.9789 cm^3
• Polarizability: 15.682026 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%