CAS
452-08-4 Purity
98%+
452-08-4 Purity
98%+
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Specification
The molecular formula is C13H11BrO.
The molecular weight is 263.13 g/mol.
The IUPAC name is 1-bromo-3-phenylmethoxybenzene.
The InChI is InChI=1S/C13H11BrO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10H2.
The InChIKey is HVWZMGZBJCJDOX-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C(C=C1)COC2=CC(=CC=C2)Br.
The CAS number is 53087-13-1.
The ChEMBL ID is CHEMBL4176929.
The XLogP3 value is 4.5.
Yes, it is a covalently-bonded compound with a unit count of 1.