C1=C[N+](=CC2=CC(=C(C=C21)F)Cl)[O-]
CAS: 923021-48-1
Name: 7-chloro-6-fluoro-2-oxidoisoquinolin-2-ium
SMILES: C1=C[N+](=CC2=CC(=C(C=C21)F)Cl)[O-]

Molecular Processing

Molecular formula
C9H5ClFNO
Molecular weight
197.6
Exact mass
197.0044
XLogP
2.27
TPSA
26.94
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
47.88

Supplementary Information

InChIKey: OQMBJKGORSBEHX-UHFFFAOYSA-N
Synonyme
923021-48-17-Chloro-6-fluoro-isoquinoline 2-oxideSCHEMBL1412024DTXSID60733084OQMBJKGORSBEHX-UHFFFAOYSA-N6-Fluoro-7-chloro-isoquinoline-2-oxide7-Chloro-6-fluoro-2-oxo-2lambda~5~-isoquinoline
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