1-chloranyl-2-ethyl-benzene; 1,3-oxazol-3-ium; tetrafluoroborate

Systemtic Name: 1-chloranyl-2-ethyl-benzene; 1,3-oxazol-3-ium; tetrafluoroborate Openeye Name: 1-chloro-2-ethyl-benzene; oxazol-3-ium; tetrafluoroborate CAS Name: 1-chloro-2-ethylbenzene; oxazol-3-ium; tetrafluoroborate IUPAC Name: 1-chloro-2-ethylbenzene; 1,3-oxazol-3-ium; tetrafluoroborate Traditional Name: 1-chloro-2-ethyl-benzene; oxazol-3-ium; tetrafluoroborate Formula: C11H13BClF4NO MolecularWeight: 297.484633

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCC1=CC=CC=C1Cl.C1=COC=[NH+]1

Isomeric SMILES

[B-](F)(F)(F)F.CCC1=CC=CC=C1Cl.C1=COC=[NH+]1

InChI

InChI=1S/C8H9Cl.C3H3NO.BF4/c1-2-7-5-3-4-6-8(7)9;1-2-5-3-4-1;2-1(3,4)5/h3-6H,2H2,1H3;1-3H;/q;;-1/p+1