312619-41-3 Purity
98%
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Specification
The molecular formula of 4-Bromo-3-methyl-5-phenylisoxazole is C10H8BrNO.
The molecular weight of 4-Bromo-3-methyl-5-phenylisoxazole is 238.08 g/mol.
The IUPAC name of 4-Bromo-3-methyl-5-phenylisoxazole is 4-bromo-3-methyl-5-phenyl-1,2-oxazole.
The InChIKey of 4-Bromo-3-methyl-5-phenylisoxazole is CRZPMYDRPGDHQX-UHFFFAOYSA-N.
The Canonical SMILES of 4-Bromo-3-methyl-5-phenylisoxazole is CC1=NOC(=C1Br)C2=CC=CC=C2.
4-Bromo-3-methyl-5-phenylisoxazole has 0 hydrogen bond donor counts.
The XLogP3-AA value of 4-Bromo-3-methyl-5-phenylisoxazole is 3.1.
The topological polar surface area of 4-Bromo-3-methyl-5-phenylisoxazole is 26 2.
4-Bromo-3-methyl-5-phenylisoxazole has 13 heavy atom counts.
Yes, 4-Bromo-3-methyl-5-phenylisoxazole is a canonicalized compound according to PubChem.