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NOA 459119

PropertiesImage
MNX_IDMNXM166338 Image of MNXM166338
referenceenvipathM:...e5eb89a147ab
formulaC8H7ClO3
global charge0
mol weight186.594
InChIKeyBWSFWXSSALIZAU-UHFFFAOYSA-N
InChIInChI=1S/C8H7ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
SMILESO=C(O)C(O)C1=CC=C(Cl)C=C1
MNX internals
InChI (mnx)InChI=1/C8H7ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7? Image of MNXM166338
SMILES (mnx)[CH:1]1=[CH:3][C:6]([Cl:9])=[CH:4][CH:2]=[C:5]1[CH:7]([C:8](=[O:11])[OH:12])[OH:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

envipath:...973b84f26084
envipathM:...973b84f26084
envipath:...e5eb89a147ab
envipathM:...e5eb89a147ab
BWSFWXSSALIZAU-UHFFFAOYSA-N 		NOA 459119

sabiork.compound:20010
sabiorkM:20010
BWSFWXSSALIZAU-UHFFFAOYSA-N 		4-Chloromandelate
2-(4-Chlorophenyl)-2-hydroxy-acetic acid
4-Chloromandelic acid
p-Chloro mandelic acid
p-Chloromandelic acid

envipath:...8d46f5ef5bcc
envipathM:...8d46f5ef5bcc
BWSFWXSSALIZAU-UHFFFAOYSA-N 		compound 0283378