3-(2-Chloro-4-isocyanatophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one

CAS Registry Number®

97659-35-3

CAS Name

3-(2-Chloro-4-isocyanatophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one

Molecular Formula

C13H12ClN3O3

Molecular Mass

293.71

Cite this Page

3-(2-Chloro-4-isocyanatophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=97659-35-3 (retrieved 2024-11-23) (CAS RN: 97659-35-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H12ClN3O3/c1-13(2,3)11-16-17(12(19)20-11)10-5-4-8(15-7-18)6-9(10)14/h4-6H,1-3H3

InChIKey

InChIKey=WSQMDTRLPZJJGY-UHFFFAOYSA-N

SMILES

O=C1N(N=C(C(C)(C)C)O1)C2=C(Cl)C=C(N=C=O)C=C2

Canonical SMILES

O=C=NC1=CC=C(C(Cl)=C1)N2N=C(OC2=O)C(C)(C)C

Other Names for this Substance

  • 1,3,4-Oxadiazol-2(3H)-one, 3-(2-chloro-4-isocyanatophenyl)-5-(1,1-dimethylethyl)-
  • 3-(2-Chloro-4-isocyanatophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one

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