CAS
95412-45-6 Purity
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95412-45-6 Purity
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The molecular formula is C9H10Br2O.
The PubChem CID is 58993641.
The IUPAC name is 5-bromo-1-(bromomethyl)-2-methoxy-3-methylbenzene.
The InChI is InChI=1S/C9H10Br2O/c1-6-3-8(11)4-7(5-10)9(6)12-2/h3-4H,5H2,1-2H3.
The InChIKey is RKMZTSJSCZAEGP-UHFFFAOYSA-N.
The molecular weight is 293.98 g/mol.
The XLogP3-AA value is 3.5.
It has 0 hydrogen bond donor counts.
It has 2 rotatable bond counts.
Yes, it is a canonicalized compound.