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13669-62-0 | 3-Quinolinecarbonitrile, 4-chloro-6-methoxy-
CAS No: 13669-62-0 Catalog No: AG00127Z MDL No:MFCD09261370
Product Description
Catalog Number:
AG00127Z
Chemical Name:
3-Quinolinecarbonitrile, 4-chloro-6-methoxy-
CAS Number:
13669-62-0
Molecular Formula:
C11H7ClN2O
Molecular Weight:
218.6391
MDL Number:
MFCD09261370
IUPAC Name:
4-chloro-6-methoxyquinoline-3-carbonitrile
InChI:
InChI=1S/C11H7ClN2O/c1-15-8-2-3-10-9(4-8)11(12)7(5-13)6-14-10/h2-4,6H,1H3
InChI Key:
VIKNILFXAQPQEF-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(Cl)c(cn2)C#N
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.025g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.64g/mol
Monoisotopic Mass:
218.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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