CAS
332382-81-7 Purity
97%
332382-81-7 Purity
97%
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Specification
The molecular formula is C11H10BrNO.
The molecular weight is 252.11 g/mol.
Some synonyms include 5-BROMO-6-METHOXY-2-METHYLQUINOLINE, 475682-39-4, and UPDXSQFEBOHETE-UHFFFAOYSA-N.
The InChIKey is UPDXSQFEBOHETE-UHFFFAOYSA-N.
The Canonical SMILES is CC1=NC2=C(C=C1)C(=C(C=C2)OC)Br.
The XLogP3-AA value is 3.3.
It has 2 hydrogen bond acceptor counts.
The exact mass is 250.99458 g/mol.
The topological polar surface area is 22.1 Ų.
Yes, the compound is canonicalized according to PubChem.