4-(2-azanylethyl)-2-tert-butyl-3,5-bis(fluoranyl)benzoate hydrochloride

Systemtic Name: 4-(2-azanylethyl)-2-tert-butyl-3,5-bis(fluoranyl)benzoate hydrochloride Openeye Name: 4-(2-aminoethyl)-2-tert-butyl-3,5-difluoro-benzoate hydrochloride CAS Name: 4-(2-aminoethyl)-2-tert-butyl-3,5-difluorobenzoate hydrochloride IUPAC Name: 4-(2-aminoethyl)-2-tert-butyl-3,5-difluorobenzoate hydrochloride Traditional Name: 4-(2-aminoethyl)-2-tert-butyl-3,5-difluoro-benzoate hydrochloride Formula: C13H17ClF2NO2- MolecularWeight: 292.729386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C=C1C(=O)[O-])F)CCN)F.Cl

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C=C1C(=O)[O-])F)CCN)F.Cl

InChI

InChI=1S/C13H17F2NO2.ClH/c1-13(2,3)10-8(12(17)18)6-9(14)7(4-5-16)11(10)15;/h6H,4-5,16H2,1-3H3,(H,17,18);1H/p-1