CAS
589-87-7 Purity
95%+
589-87-7 Purity
95%+
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The molecular formula is C7H6BrClO.
The molecular weight is 221.48 g/mol.
The IUPAC name is 1-bromo-3-chloro-5-methoxybenzene.
The InChI is InChI=1S/C7H6BrClO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3.
The InChIKey is VOGGSKPTKSAXHR-UHFFFAOYSA-N.
The Canonical SMILES is COC1=CC(=CC(=C1)Br)Cl.
The CAS number is 174913-12-3.
It has 0 hydrogen bond donor count.
The XLogP3 value is 3.9.
Yes, the compound is canonicalized.