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860004-36-0 | Benzonitrile, 4-(8-quinolinyloxy)-
CAS No: 860004-36-0 Catalog No: AG008FVD MDL No:
Product Description
Catalog Number:
AG008FVD
Chemical Name:
Benzonitrile, 4-(8-quinolinyloxy)-
CAS Number:
860004-36-0
Molecular Formula:
C16H10N2O
Molecular Weight:
246.2634
IUPAC Name:
4-quinolin-8-yloxybenzonitrile
InChI:
InChI=1S/C16H10N2O/c17-11-12-6-8-14(9-7-12)19-15-5-1-3-13-4-2-10-18-16(13)15/h1-10H
InChI Key:
PWYDICHYVPRVNR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Oc1cccc2c1nccc2
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.269g/mol
Monoisotopic Mass:
246.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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