CAS
944710-34-3 Purity
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944710-34-3 Purity
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Specification
The molecular formula is C10H10BrNO2.
It was created on May 28, 2009.
The IUPAC name is 2-(bromomethyl)-6-methoxy-3H-isoindol-1-one.
The InChIKey is KJOPVBGYBVIAEN-UHFFFAOYSA-N.
The canonical SMILES is COC1=CC2=C(CN(C2=O)CBr)C=C1.
The exact mass is 254.98949 g/mol.
It has 2 hydrogen bond acceptor counts.
The topological polar surface area is 29.5 Ų.
It has 0 defined atom stereocenter counts.
Yes, it is considered as Canonicalized in PubChem.