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Chemical structure of 4-(Chloromethyl)-7-hydroxycoumarin

GC75992

4-(Chloromethyl)-7-hydroxycoumarin

Also known as 4-(chloromethyl)-7-hydroxychromen-2-one

4-(Chloromethyl)-7-hydroxycoumarin (compound 4) is a hydroxycoumarin derivative with potent antioxidant effect and high hydroxyl radical-scavenging property

ChemicalCAS25392-41-0MW210.61FormulaC10H7ClO3
CAS number
25392-41-0
Molecular weight
210.61
Formula
C10H7ClO3
Solubility
DMSO： ≥ 100 mg/mL (474·81 mM)
InChIKey
TXSLBPGPBNGHRW-UHFFFAOYSA-N
Catalogue number
GC75992
Brand
GLPBIO
Computed properties PubChem CID 5398846 · XLogP 1.9 · TPSA 46.5 Ų · H-bond donors 1
XLogP
1.9
TPSA
46.5 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14

SMILES C1=CC2=C(C=C1O)OC(=O)C=C2CCl

Computed descriptors from PubChem (CID 5398846), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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