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2,3,4,4',5-Pentachlorobiphenyl

PropertiesImage
MNX_IDMNXM34370 Image of MNXM34370
referencechebi:81519
formulaC12H5Cl5
global charge0
mol weight326.437
InChIKeySXZSFWHOSHAKMN-UHFFFAOYSA-N
InChIInChI=1S/C12H5Cl5/c13-7-3-1-6(2-4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H
SMILESClC1=CC=C(C2=CC(Cl)=C(Cl)C(Cl)=C2Cl)C=C1
MNX internals
InChI (mnx)InChI=1/C12H5Cl5/c13-7-3-1-6(2-4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H Image of MNXM34370
SMILES (mnx)[CH:1]1=[CH:3][C:7]([Cl:13])=[CH:4][CH:2]=[C:6]1[C:8]1=[CH:5][C:9]([Cl:14])=[C:11]([Cl:16])[C:12]([Cl:17])=[C:10]1[Cl:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd19387
seedM:cpd19387
CHEBI:81519
chebi:81519
kegg.compound:C18117
keggC:C18117
SXZSFWHOSHAKMN-UHFFFAOYSA-N
2,3,4,4',5-Pentachlorobiphenyl
PCB 114
hmdb:HMDB0245427
SXZSFWHOSHAKMN-UHFFFAOYSA-N
2,3,4,4',5-Pentachlorobiphenyl
1,2,3,4-tetrachloro-5-(4-chlorophenyl)benzene
2,3,4,4',5-pentachlorobiphenyl
2,3,4,4'5-Pentachlorobiphenyl
PCB 114

keggC:M_C18117
seedM:M_cpd19387
secondary/obsolete/fantasy identifier