3-(Chloromethyl)-5-[(6,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydroisoxazole

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Basic information

CAS: 924861-82-5
Standard SMILES: COc1c(CC2CC(CCl)=NO2)cc2c(c1OC)OCO2
InChIKey: WHWZCHQKTJRXDM-UHFFFAOYSA-N
Molecular formula: C14H16ClNO5
Average molar mass: 313.73 g/mol
Monoisotopic mass: 313.0717003

Names & identifiers

Preferred name: 3-(Chloromethyl)-5-[(6,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydroisoxazole
IUPAC: 3-(chloromethyl)-5-[(6,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole

Names & synonyms

924861-82-53-(Chloromethyl)-5-[(6,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydroisoxazole3-(Chloromethyl)-5-((6,7-dimethoxy-1,3-benzodioxol-5-yl)methyl)-4,5-dihydroisoxazoleRefChem:2752793-(Chloromethyl)-5-((6,7-dimethoxybenzo[d][1,3]dioxol-5-yl)methyl)-4,5-dihydroisoxazole3-(chloromethyl)-5-[(6,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazoleDTXSID2011284533-(CHLOROMETHYL)-5-[(6,7-DIMETHOXY-2H-1,3-BENZODIOXOL-5-YL)METHYL]-4,5-DIHYDRO-1,2-OXAZOLEMFCD08848210SBB014715STK691876AKOS005604069

Show more names

CS-03258086-{[3-(chloromethyl)(4,5-dihydroisoxazol-5-yl)]methyl}-4,5-dimethoxy-2H-benzo[ d]1,3-dioxolene

Database identifiers

CAS: 924861-82-5
PubChem CID: 16765337
DTXSID: DTXSID201128453

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 58.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 394

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Compound notes

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