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Chemical structure of 4-Chlorocatechol

GC60513

4-Chlorocatechol

Also known as 4-chlorobenzene-1,2-diol

4-Chlorocatechol is a major degradation product of 4-chloro-2-aminophenol (4C2AP)

ChemicalCAS2138-22-9MW144.56FormulaC6H5ClO2
CAS number
2138-22-9
Molecular weight
144.56
Formula
C6H5ClO2
Solubility
DMSO ： 100 mg/mL (691·75 mM; Need ultrasonic)
InChIKey
WWOBYPKUYODHDG-UHFFFAOYSA-N
Catalogue number
GC60513
Brand
GLPBIO
Computed properties PubChem CID 16496 · XLogP 2.3 · TPSA 40.5 Ų · H-bond donors 2
XLogP
2.3
TPSA
40.5 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9

SMILES C1=CC(=C(C=C1Cl)O)O

Computed descriptors from PubChem (CID 16496), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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