Home Halogens 4-chloro-6,8-dimethoxyquinoline-3-carbonitrile

4-chloro-6,8-dimethoxyquinoline-3-carbonitrile

CAS No.:
1017049-01-2
Catalog Number:
AG019VDN
Molecular Formula:
C12H9ClN2O2
Molecular Weight:
248.6651
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Product Description
Catalog Number:
AG019VDN
Chemical Name:
4-chloro-6,8-dimethoxyquinoline-3-carbonitrile
CAS Number:
1017049-01-2
Molecular Formula:
C12H9ClN2O2
Molecular Weight:
248.6651
MDL Number:
MFCD09937921
IUPAC Name:
4-chloro-6,8-dimethoxyquinoline-3-carbonitrile
InChI:
InChI=1S/C12H9ClN2O2/c1-16-8-3-9-11(13)7(5-14)6-15-12(9)10(4-8)17-2/h3-4,6H,1-2H3
InChI Key:
MAHAGCBLKSSMFB-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1)c(Cl)c(cn2)C#N
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.035g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.666g/mol
Monoisotopic Mass:
248.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties