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Chemical structure of 2-Chloro-8-fluoro-5H-dibenzo[b,e][1,4]diazepin-11(10H)-one

GB40068

2-Chloro-8-fluoro-5H-dibenzo[b,e][1,4]diazepin-11(10H)-one

Also known as 8-chloro-3-fluoro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

Building block; starting material for preparation of Clozapine analogs

ChemicalCAS2241432-81-3MW262.67FormulaC13H8ClFN2O
CAS number
2241432-81-3
Molecular weight
262.67
Formula
C13H8ClFN2O
InChIKey
MDOXRMDDOSYFGS-UHFFFAOYSA-N
Catalogue number
GB40068
Brand
GLPBIO
Computed properties PubChem CID 145874870 · XLogP 3.1 · TPSA 41.1 Ų · H-bond donors 2
XLogP
3.1
TPSA
41.1 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
18

SMILES C1=CC2=C(C=C1F)NC(=O)C3=C(N2)C=CC(=C3)Cl

Computed descriptors from PubChem (CID 145874870), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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