5-(Chloromethyl)-3-(m-tolyl)isoxazole

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Basic information

CAS: 934156-90-8
Standard SMILES: Cc1cccc(-c2cc(CCl)on2)c1
InChIKey: MCTHFBUCEVTYGG-UHFFFAOYSA-N
Molecular formula: C11H10ClNO
Average molar mass: 207.65 g/mol
Monoisotopic mass: 207.0450916

Names & identifiers

Preferred name: 5-(Chloromethyl)-3-(m-tolyl)isoxazole
IUPAC: 5-(chloromethyl)-3-(3-methylphenyl)-1,2-oxazole

Names & synonyms

5-(Chloromethyl)-3-(m-tolyl)isoxazole934156-90-85-(CHLOROMETHYL)-3-(3-METHYLPHENYL)ISOXAZOLEDTXSID0012581235-(chloromethyl)-3-(3-methylphenyl)-1,2-oxazole

Database identifiers

CAS: 934156-90-8
PubChem CID: 19623213
DTXSID: DTXSID001258123

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 26 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 188

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Compound notes

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