2-(4-chloranyl-2-methyl-phenoxy)ethanoic acid; N-methylmethanamine

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)ethanoic acid; N-methylmethanamine Openeye Name: 2-(4-chloro-2-methyl-phenoxy)acetic acid; N-methylmethanamine CAS Name: 2-(4-chloro-2-methylphenoxy)acetic acid; N-methylmethanamine IUPAC Name: 2-(4-chloro-2-methylphenoxy)acetic acid; N-methylmethanamine Traditional Name: 2-(4-chloro-2-methyl-phenoxy)acetic acid; dimethylamine Formula: C11H16ClNO3 MolecularWeight: 245.70264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)O.CNC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)O.CNC

InChI

InChI=1S/C9H9ClO3.C2H7N/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;1-3-2/h2-4H,5H2,1H3,(H,11,12);3H,1-2H3