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220018-16-6 | 1,2-Benzenedicarbonitrile, 4-(8-quinolinyloxy)-
CAS No: 220018-16-6 Catalog No: AG007OG8 MDL No:
Product Description
Catalog Number:
AG007OG8
Chemical Name:
1,2-Benzenedicarbonitrile, 4-(8-quinolinyloxy)-
CAS Number:
220018-16-6
Molecular Formula:
C17H9N3O
Molecular Weight:
271.2729
IUPAC Name:
4-quinolin-8-yloxybenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C17H9N3O/c18-10-13-6-7-15(9-14(13)11-19)21-16-5-1-3-12-4-2-8-20-17(12)16/h1-9H
InChI Key:
VGMCUPGUTYCSLQ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1C#N)Oc1cccc2c1nccc2
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.075g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.279g/mol
Monoisotopic Mass:
271.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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