CAS
99071-94-0 Purity
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99071-94-0 Purity
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Specification
The molecular formula is C10H8BrNO.
The molecular weight is 238.08 g/mol.
The IUPAC name is 4-(bromomethyl)-2-phenyl-1,3-oxazole.
The InChI is InChI=1S/C10H8BrNO/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2.
The InChIKey is AFUZYSXNOXTGNH-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C(C=C1)C2=NC(=CO2)CBr.
The CAS number is 99073-82-2.
The XLogP3-AA value is 2.6.
It has 0 hydrogen bond donor counts.
It has 2 hydrogen bond acceptor counts.