2-chloro-4-fluoromuconolactone

Properties Image MNX_ID MNXM14217 reference metacycM:CPD-10884 formula C6H3ClFO4 global charge -1 mol weight 193.537 InChIKey BBAKTVCTZKYZGA-ZCFIWIBFSA-M InChI InChI=1S/C6H4ClFO4/c7-3-1-6(8,2-4(9)10)12-5(3)11/h1H,2H2,(H,9,10)/p-1/t6-/m1/s1 SMILES O=C([O-])C[C@@]1(F)C=C(Cl)C(=O)O1 MNX internals InChI (mnx) InChI=1/C6H4ClFO4/c7-3-1-6(8,2-4(9)10)12-5(3)11/h1H,2H2,(H,9,10)/t6-/m1/s1 SMILES (mnx) [CH:1]1=[C:3]([Cl:7])[C:5](=[O:11])[O:12][C@:6]1([CH2:2][C:4](=[O:9])[OH:10])[F:8]

Parent-child relations graph

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