CCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)Cl)OCC
CAS: 214476-71-8
名称: 4-chloro-6,7-diethoxyquinoline-3-carbonitrile
SMILES: CCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)Cl)OCC

Molecular Processing

Molecular formula
C14H13ClN2O2
Molecular weight
276.72
Exact mass
276.0666
XLogP
3.56
TPSA
55.14
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
73.81

Supplementary Information

InChIKey: HRMLDEXYPNWNSJ-UHFFFAOYSA-N
同義語
214476-71-84-chloro-6,7-diethoxyquinoline-3-carbonitrile3-Quinolinecarbonitrile, 4-chloro-6,7-diethoxy-4-chloro-6,7-diethoxy-3-quinolinecarbonitrile4-chloro-6,7-diethoxy-quinoline-3-carbonitrileSCHEMBL4742017HRMLDEXYPNWNSJ-UHFFFAOYSA-NAKOS000193497DB-358147
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