CAS
916213-53-1 Purity
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916213-53-1 Purity
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Specification
The molecular formula is C8H6BrFO.
The molecular weight is 217.03 g/mol.
The IUPAC name is 2-bromo-4-fluoro-6-methylbenzaldehyde.
The InChI is InChI=1S/C8H6BrFO/c1-5-2-6(10)3-8(9)7(5)4-11/h2-4H,1H3.
The InChIKey is HQTWYBVWOIOMBX-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC(=CC(=C1C=O)Br)F.
The CAS number is 916792-19-3.
The XLogP3-AA value is 2.5.
It has 0 hydrogen bond donor counts.
It has 2 hydrogen bond acceptor counts.