tert-butyl 6-bromanyl-3-methoxy-2-methyl-benzoate; 2,2,2-tris(fluoranyl)ethanamine

Systemtic Name: tert-butyl 6-bromanyl-3-methoxy-2-methyl-benzoate; 2,2,2-tris(fluoranyl)ethanamine Openeye Name: tert-butyl 6-bromo-3-methoxy-2-methyl-benzoate; 2,2,2-trifluoroethanamine CAS Name: 6-bromo-3-methoxy-2-methylbenzoic acid tert-butyl ester; 2,2,2-trifluoroethanamine IUPAC Name: tert-butyl 6-bromo-3-methoxy-2-methylbenzoate; 2,2,2-trifluoroethanamine Traditional Name: 6-bromo-3-methoxy-2-methyl-benzoic acid tert-butyl ester; 2,2,2-trifluoroethylamine Formula: C15H21BrF3NO3 MolecularWeight: 400.23135

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)OC(C)(C)C)Br)OC.C(C(F)(F)F)N

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)OC(C)(C)C)Br)OC.C(C(F)(F)F)N

InChI

InChI=1S/C13H17BrO3.C2H4F3N/c1-8-10(16-5)7-6-9(14)11(8)12(15)17-13(2,3)4;3-2(4,5)1-6/h6-7H,1-5H3;1,6H2