compound 0083096

Properties Image MNX_ID MNXM1195747 reference envipathM:...ff04eb1fa190 formula C12H13Cl3O2 global charge 0 mol weight 295.593 InChIKey OGZWLBYUGJXXQW-UHFFFAOYSA-N InChI InChI=1S/C12H13Cl3O2/c13-5-2-12(15)8-4-1-3(9(16)10(4)17)6(8)7(5)11(12)14/h3-9,11,16H,1-2H2 SMILES O=C1C(O)C2CC1C1C2C2C(Cl)CC1(Cl)C2Cl MNX internals InChI (mnx) InChI=1/C12H13Cl3O2/c13-5-2-12(15)8-4-1-3(9(16)10(4)17)6(8)7(5)11(12)14/h3-9,11,16H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,11?,12? SMILES (mnx) [CH2:1]1[CH:3]2[CH:6]3[CH:7]4[CH:5]([Cl:13])[CH2:2][C:12]([Cl:15])([CH:8]3[CH:4]1[C:10](=[O:17])[CH:9]2[OH:16])[CH:11]4[Cl:14]

Parent-child relations graph

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