CAS
950603-22-2 Purity
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950603-22-2 Purity
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Specification
The molecular formula is C12H15ClO2.
The molecular weight is 226.70 g/mol.
The IUPAC name is tert-butyl 2-(chloromethyl)benzoate.
The InChIKey is JXSCJKVLGWWQAN-UHFFFAOYSA-N.
It has 0 hydrogen bond donor counts.
The topological polar surface area is 26.3 Ų.
No, it does not have any defined atom stereocenter counts.
It has 4 rotatable bond counts.
The formal charge is 0.
Yes, it is a canonicalized compound.