C1=CN=CC2=CC(=C(C=C21)F)Cl
CAS: 918490-51-4
Название: 7-chloro-6-fluoroisoquinoline
SMILES: C1=CN=CC2=CC(=C(C=C21)F)Cl

Molecular Processing

Molecular formula
C9H5ClFN
Molecular weight
181.6
Exact mass
181.0095
XLogP
3.03
TPSA
12.89
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
46.71

Supplementary Information

InChIKey: BCZPUVXMWIBIRE-UHFFFAOYSA-N
Синонимы
7-CHLORO-6-FLUOROISOQUINOLINE918490-51-4DTXSID50697469RefChem:310649DTXCID90648218806-835-4Isoquinoline, 7-chloro-6-fluoro-MFCD118462997-Chloro-6-fluoro-isoquinoline6-Fluoro-7-chloroisoquinolineSCHEMBL14119336-Fluoro-7-chloro-isoquinolineSCHEMBL30702061BCZPUVXMWIBIRE-UHFFFAOYSA-NTLB49051AKOS026675655SS-4666EN300-113962Z1255403762
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