72479-05-1 Purity
98%
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Specification
The molecular formula is C27H34BrO2P.
The molecular weight is 501.4 g/mol.
The IUPAC name is 3,3-di(propan-2-yloxy)propyl-triphenylphosphanium bromide.
The InChI is InChI=1S/C27H34O2P.BrH/c1-22(2)28-27(29-23(3)4)20-21-30(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26;/h5-19,22-23,27H,20-21H2,1-4H3;1H/q+1;/p-1.
The CAS number is 72931-54-5.
The molecular weight is not provided.
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 3.
The rotatable bond count is 10.
Yes, it is considered as a canonicalized compound.
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