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Specification
The molecular formula of 2-Chloro-6-fluoro-3-methoxybenzaldehyde is C8H6ClFO2.
The molecular weight of 2-Chloro-6-fluoro-3-methoxybenzaldehyde is 188.58 g/mol.
The IUPAC name of 2-Chloro-6-fluoro-3-methoxybenzaldehyde is 2-chloro-6-fluoro-3-methoxybenzaldehyde.
The InChI key of 2-Chloro-6-fluoro-3-methoxybenzaldehyde is WRJUPJLEUPNEBO-UHFFFAOYSA-N.
The canonical SMILES notation for 2-Chloro-6-fluoro-3-methoxybenzaldehyde is COC1=C(C(=C(C=C1)F)C=O)Cl.
The XLogP3-AA value of 2-Chloro-6-fluoro-3-methoxybenzaldehyde is 2.1.
There are 3 hydrogen bond acceptors present in 2-Chloro-6-fluoro-3-methoxybenzaldehyde.
The exact mass of 2-Chloro-6-fluoro-3-methoxybenzaldehyde is 188.0040353 g/mol.
There are 2 rotatable bonds present in 2-Chloro-6-fluoro-3-methoxybenzaldehyde.
Yes, 2-Chloro-6-fluoro-3-methoxybenzaldehyde is a canonicalized compound.