2-(4-bromo-5-chlorothiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 290741
• Molecular Formular: C10H13BBrClO2S
• Molecular Mass: 323.44202
• Monoisotopic Mass: 321.96012074
• SMILES: CC1(C)C(C)(C)OB(c2cc(Br)c(Cl)s2)O1
• Canonical SMILES: Brc1cc(sc1Cl)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C10H13BBrClO2S/c1-9(2)10(3,4)15-11(14-9)7-5-6(12)8(13)16-7/h5H,1-4H3
• InChIKey: HDFIJXYADDWMMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromo-5-chlorothiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-(4-bromo-5-chlorothiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-(4-Bromo-5-chlorothiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Database IDs

• CAS Number: 942070-02-2
• PubChem SID: 180676272
• PubChem CID: 53429085

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.7286
• LogD (pH = 7.4): 4.7286
• Log P: 4.7286
• Molar Refractivity: 63.5663 cm^3
• Polarizability: 27.54531 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%