(2S)-5-chloranyl-2-isocyanato-2-(trifluoromethyl)-1,3-benzodioxole

Systemtic Name: (2S)-5-chloranyl-2-isocyanato-2-(trifluoromethyl)-1,3-benzodioxole Openeye Name: (2S)-5-chloro-2-isocyanato-2-(trifluoromethyl)-1,3-benzodioxole CAS Name: (2S)-5-chloro-2-isocyanato-2-(trifluoromethyl)-1,3-benzodioxole IUPAC Name: (2S)-5-chloro-2-isocyanato-2-(trifluoromethyl)-1,3-benzodioxole Traditional Name: (2S)-5-chloro-2-isocyanato-2-(trifluoromethyl)-1,3-benzodioxole Formula: C9H3ClF3NO3 MolecularWeight: 265.57323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)OC(O2)(C(F)(F)F)N=C=O

Isomeric SMILES

C1=CC2=C(C=C1Cl)O[C@@](O2)(C(F)(F)F)N=C=O

InChI

InChI=1S/C9H3ClF3NO3/c10-5-1-2-6-7(3-5)17-9(16-6,14-4-15)8(11,12)13/h1-3H/t9-/m0/s1