CAS
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Specification
The molecular formula is C8H8BrNO.
The molecular weight is 214.06 g/mol.
The IUPAC name is 7-bromo-3,4-dihydro-2H-1,4-benzoxazine.
The InChI is InChI=1S/C8H8BrNO/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4H2.
The InChIKey is JLZUUGCTPRPFKZ-UHFFFAOYSA-N.
The canonical SMILES is C1COC2=C(N1)C=CC(=C2)Br.
The CAS number is 105679-22-9.
The XLogP3-AA value is 2.3.
It has 1 hydrogen bond donor count.