60656-76-0

Name 7-CHLORO-1,3DIHYDRO-5-FLUOROPHENYL-2-NITRO-METHYLENE-2H-1,4-BENZODIAZEPINE-4-OXIDE
CAS 60656-76-0
Molecular Formula C16H11ClFN3O3
Molecular Weight 347.73
MOL File 60656-76-0.mol
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Chemical Properties

Melting point  240-243 °C(Solv: N,N-dimethylformamide (68-12-2); water (7732-18-5))
Boiling point  539.7±60.0 °C(Predicted)
density  1.49±0.1 g/cm3(Predicted)
pka -1.18±0.20(Predicted)
InChI InChI=1S/C16H11ClFN3O3/c17-10-5-6-15-13(7-10)16(12-3-1-2-4-14(12)18)20(22)8-11(19-15)9-21(23)24/h1-7,9,19H,8H2
InChIKey YFNLLWWUWXVJOM-UHFFFAOYSA-N
SMILES N1C2=CC=C(Cl)C=C2C(C2=CC=CC=C2F)=[N+]([O-])CC1=C[N+]([O-])=O

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