1-bromo-4-(cyclopentanesulfonyl)benzene

• ChemBase ID: 290566
• Molecular Formular: C11H13BrO2S
• Molecular Mass: 289.18872
• Monoisotopic Mass: 287.98196266
• SMILES: O=S(=O)(c1ccc(Br)cc1)C1CCCC1
• Canonical SMILES: Brc1ccc(cc1)S(=O)(=O)C1CCCC1
• InChI: InChI=1S/C11H13BrO2S/c12-9-5-7-11(8-6-9)15(13,14)10-3-1-2-4-10/h5-8,10H,1-4H2
• InChIKey: FEVMOUOFLLDHPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-(cyclopentanesulfonyl)benzene
• IUPAC Traditional name: 1-bromo-4-(cyclopentanesulfonyl)benzene
• Synonyms: 1-Bromo-4-(cyclopentylsulfonyl)benzene

Database IDs

• CAS Number: 173387-45-6
• PubChem SID: 180676097
• PubChem CID: 19959963

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2413874
• LogD (pH = 7.4): 3.2413874
• Log P: 3.2413874
• Molar Refractivity: 63.9316 cm^3
• Polarizability: 25.759052 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%