2-chloranylbenzoic acid; 2-(2-methylpropylamino)ethanol; hydrochloride

Systemtic Name: 2-chloranylbenzoic acid; 2-(2-methylpropylamino)ethanol; hydrochloride Openeye Name: 2-chlorobenzoic acid; 2-(isobutylamino)ethanol; hydrochloride CAS Name: 2-chlorobenzoic acid; 2-(2-methylpropylamino)ethanol; hydrochloride IUPAC Name: 2-chlorobenzoic acid; 2-(2-methylpropylamino)ethanol; hydrochloride Traditional Name: 2-chlorobenzoic acid; 2-(isobutylamino)ethanol; hydrochloride Formula: C13H21Cl2NO3 MolecularWeight: 310.21674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCCO.C1=CC=C(C(=C1)C(=O)O)Cl.Cl

Isomeric SMILES

CC(C)CNCCO.C1=CC=C(C(=C1)C(=O)O)Cl.Cl

InChI

InChI=1S/C7H5ClO2.C6H15NO.ClH/c8-6-4-2-1-3-5(6)7(9)10;1-6(2)5-7-3-4-8;/h1-4H,(H,9,10);6-8H,3-5H2,1-2H3;1H