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Specification
The molecular formula of 3-Bromo-4-propoxybenzaldehyde is C10H11BrO2.
The molecular weight of 3-Bromo-4-propoxybenzaldehyde is 243.10 g/mol.
The IUPAC name of 3-Bromo-4-propoxybenzaldehyde is 3-bromo-4-propoxybenzaldehyde.
The InChI of 3-Bromo-4-propoxybenzaldehyde is InChI=1S/C10H11BrO2/c1-2-5-13-10-4-3-8(7-12)6-9(10)11/h3-4,6-7H,2,5H2,1H3.
The InChIKey of 3-Bromo-4-propoxybenzaldehyde is HDCNBZVVXWZSQO-UHFFFAOYSA-N.
The canonical SMILES of 3-Bromo-4-propoxybenzaldehyde is CCCOC1=C(C=C(C=C1)C=O)Br.
The CAS number of 3-Bromo-4-propoxybenzaldehyde is 865138-64-3.
The XLogP3-AA value of 3-Bromo-4-propoxybenzaldehyde is 2.9.
The hydrogen bond donor count of 3-Bromo-4-propoxybenzaldehyde is 0.
Yes, 3-Bromo-4-propoxybenzaldehyde is a canonicalized compound.