2,3,6,7-Tetrachloro-9-(6-hydroxyhexyl)-9H-xanthen-9-OL

HCID 71377161CAS 651034-75-2
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Basic information

Standard SMILES
OCCCCCCC1(O)c2cc(Cl)c(Cl)cc2Oc2cc(Cl)c(Cl)cc21
InChIKey
LJOOWGYWYAGFBI-UHFFFAOYSA-N
Molecular formula
C19H18Cl4O3
Average molar mass
436.1 g/mol
Monoisotopic mass
434.00100516

Names & identifiers

Preferred name
2,3,6,7-Tetrachloro-9-(6-hydroxyhexyl)-9H-xanthen-9-OL
IUPAC
2,3,6,7-tetrachloro-9-(6-hydroxyhexyl)xanthen-9-ol

Names & synonyms

651034-75-22,3,6,7-TETRACHLORO-9-(6-HYDROXYHEXYL)-9H-XANTHEN-9-OLDTXSID70799818

Database identifiers

CAS
651034-75-2
PubChem CID
71377161
DTXSID
DTXSID70799818

Properties

Computed structural properties

XLogP
6
Topological polar surface area
49.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
26

Related reactions

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