CAS
947533-64-4 Purity
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947533-64-4 Purity
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Specification
The molecular formula is C11H13BrN2.
The molecular weight is 253.14 g/mol.
The IUPAC name is 7-bromo-2-tert-butylimidazo[1,2-a]pyridine.
The InChI is InChI=1S/C11H13BrN2/c1-11(2,3)9-7-14-5-4-8(12)6-10(14)13-9/h4-7H,1-3H3.
The InChIKey is STLSIILTXHRBDS-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(C)C1=CN2C=CC(=CC2=N1)Br.
The CAS number is 947533-70-2.
The XLogP3-AA value is 4.2.
Yes, it is a canonicalized compound.