benzoic acid; N-chloranyl-N-methyl-methanamine

Systemtic Name: benzoic acid; N-chloranyl-N-methyl-methanamine Openeye Name: benzoic acid; N-chloro-N-methyl-methanamine CAS Name: benzoic acid; N-chloro-N-methylmethanamine IUPAC Name: benzoic acid; N-chloro-N-methylmethanamine Traditional Name: benzoic acid; chloro(dimethyl)amine Formula: C9H12ClNO2 MolecularWeight: 201.65008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O2.C2H6ClN/c8-7(9)6-4-2-1-3-5-6;1-4(2)3/h1-5H,(H,8,9);1-2H3