934758-97-1 Purity
96%
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Specification
The molecular formula is C25H34BBrO2.
The molecular weight is 457.3 g/mol.
It was created on October 30, 2011.
It was last modified on December 30, 2023.
The IUPAC name is (7-bromo-9,9-dihexylfluoren-2-yl)boronic acid.
The InChI is InChI=1S/C25H34BBrO2/c1-3-5-7-9-15-25(16-10-8-6-4-2)23-17-19(26(28)29)11-13-21(23)22-14-12-20(27)18-24(22)25/h11-14,17-18,28-29H,3-10,15-16H2,1-2H3.
The InChIKey is MGIFFRWIIBQCQT-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC2=C(C=C1)C3=C(C2(CCCCCC)CCCCCC)C=C(C=C3)Br)(O)O.
The CAS number is 934762-26-2.
Yes, it is considered a canonicalized compound.