5-bromo-2-(2-ethoxyethoxy)benzene-1-sulfonyl chloride

• ChemBase ID: 248565
• Molecular Formular: C10H12BrClO4S
• Molecular Mass: 343.62188
• Monoisotopic Mass: 341.93281954
• SMILES: S(=O)(=O)(c1cc(ccc1OCCOCC)Br)Cl
• Canonical SMILES: CCOCCOc1ccc(cc1S(=O)(=O)Cl)Br
• InChI: InChI=1S/C10H12BrClO4S/c1-2-15-5-6-16-9-4-3-8(11)7-10(9)17(12,13)14/h3-4,7H,2,5-6H2,1H3
• InChIKey: HNOISOIMHSYWOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-(2-ethoxyethoxy)benzene-1-sulfonyl chloride
• IUPAC Traditional name: 5-bromo-2-(2-ethoxyethoxy)benzenesulfonyl chloride
• Synonyms: 5-bromo-2-(2-ethoxyethoxy)benzene-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD17301509
• PubChem SID: 164304475
• PubChem CID: 62104374

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8404627
• LogD (pH = 7.4): 2.8404627
• Log P: 2.8404627
• Molar Refractivity: 70.1303 cm^3
• Polarizability: 28.149914 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.371

Product Information

• Purity: 95%