COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)Cl)OC
CAS: 214470-55-0
الاسم: 4-chloro-6,7-dimethoxyquinoline-3-carbonitrile
SMILES: COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)Cl)OC

Molecular Processing

Molecular formula
C12H9ClN2O2
Molecular weight
248.67
Exact mass
248.0353
XLogP
2.78
TPSA
55.14
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
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
0.167
Molar refractivity
64.57

Supplementary Information

InChIKey: HMLOMVBFQJAMCN-UHFFFAOYSA-N
مرادفات
214470-55-04-chloro-6,7-dimethoxy-quinoline-3-carbonitrileDTXSID504421584-chloro-6,7-dimethoxy-3-quinolinecarbonitrileRefChem:521525DTXCID20392979804-835-94-chloro-6,7-dimethoxyquinoline-3-carbonitrileMFCD092613513-Quinolinecarbonitrile, 4-chloro-6,7-dimethoxy-SCHEMBL1893090SCHEMBL29590073HMLOMVBFQJAMCN-UHFFFAOYSA-NPIA47055AKOS000191815SB354044-chloro-3-cyano-6,7-dimethoxyquinolineAS-37304SY0355983-cyano-4-chloro-6,7-dimethoxy quinolineDB-066512CS-00011254chloro-6,7-dimethoxy-3-quinolinecarbonitrile4-chloro-6,7-dimethoxy-quinolin-3-carbonitrileF049103
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