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Chemical structure of CE3F4 analog 1

GC60682

CE3F4 analog 1

Also known as 5,7,8-tribromo-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbaldehyde

CE3F4 analog 1 is an analogue of CE3F4

ChemicalCAS2141967-43-1MW429.91FormulaC11H9Br3FNO
CAS number
2141967-43-1
Molecular weight
429.91
Formula
C11H9Br3FNO
Solubility
DMSO ： 100 mg/mL (232·61 mM; Need ultrasonic)
InChIKey
SVSYDDSARYTIKE-UHFFFAOYSA-N
Catalogue number
GC60682
Brand
GLPBIO
Computed properties PubChem CID 145951693 · XLogP 4.3 · TPSA 20.3 Ų · H-bond donors 0
XLogP
4.3
TPSA
20.3 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
17

SMILES CC1CCC2=C(N1C=O)C(=C(C(=C2Br)F)Br)Br

Computed descriptors from PubChem (CID 145951693), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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