CAS
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Specification
The molecular formula is C8H9BrO.
The molecular weight is 201.06 g/mol.
The IUPAC name is 1-bromo-3-methoxy-5-methylbenzene.
The InChI is InChI=1S/C8H9BrO/c1-6-3-7(9)5-8(4-6)10-2/h3-5H,1-2H3.
The InChIKey is AOEVRCZZWJWKPG-UHFFFAOYSA-N.
The Canonical SMILES is CC1=CC(=CC(=C1)Br)OC.
The CAS number is 29578-83-4.
The XLogP3-AA value is 2.9.
1-Bromo-3-methoxy-5-methylbenzene has 0 hydrogen bond donor counts.
1-Bromo-3-methoxy-5-methylbenzene has 1 hydrogen bond acceptor count.