Dataset

thin-layer chromatography (TLC)

Chemical Info

InChI	InChI=1S/C9H6F3N/c1-6-4-7(5-13)2-3-8(6)9(10,11)12/h2-4H,1H3
SMILES	N#Cc1ccc(c(c1)C)C(F)(F)F
InChI Key	DNVBDMCLGYHTFD-UHFFFAOYSA-N
Molecular Formula	C9H6F3N
Exact Mass	185.146 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DNVBDMCLGYHTFD-UHFFFAOYSA-N/TLC
License URL
Source	https://www.chemotion-repository.net/inchikey/DNVBDMCLGYHTFD-UHFFFAOYSA-N/TLC
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:01:15.287121
MetadataModified	2024-09-07T13:27:58.161159
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	thin-layer chromatography
Measurement Variables

Data-Source Molecule ID	Data-Source
57468696	PubChem
SCHEMBL171819	SureChEMBL
J3.173.620J	Nikkaji
DTXSID10726749	EPA CompTox Dashboard
ZINC000095829842	ZINC
The data in this table is sourced from UniChem at EBI.