m-Chloro-hippuric acid

Properties Image MNX_ID MNXM19134 reference chebi:176504 formula C9H8ClNO3 global charge 0 mol weight 213.62 InChIKey ICYUIIJXZHPESK-UHFFFAOYSA-N InChI InChI=1S/C9H8ClNO3/c10-7-3-1-2-6(4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13) SMILES O=C(O)CNC(=O)C1=CC(Cl)=CC=C1 MNX internals InChI (mnx) InChI=1/C9H8ClNO3/c10-7-3-1-2-6(4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13) SMILES (mnx) [CH:1]1=[CH:2][C:6]([C:9](=[N:11][CH2:5][C:8](=[O:12])[OH:13])[OH:14])=[CH:4][C:7]([Cl:10])=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0