CAS
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Specification
The molecular formula is C7H6BrCl.
The molecular weight is 205.48 g/mol.
The compound was created on March 27, 2005.
The compound was last modified on November 25, 2023.
The IUPAC Name is 2-bromo-4-chloro-1-methylbenzene.
The InChI is InChI=1S/C7H6BrCl/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3.
The InChIKey is CSUUXPHPCXHYGY-UHFFFAOYSA-N.
The Canonical SMILES is CC1=C(C=C(C=C1)Cl)Br.
The CAS number is 27139-97-5.
Yes, 2-Bromo-4-chloro-1-methylbenzene is canonicalized.