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57479-26-2 | 4-(3-quinolinyl)benzonitrile
CAS No: 57479-26-2 Catalog No: AG01EWID MDL No:
Product Description
Catalog Number:
AG01EWID
Chemical Name:
4-(3-quinolinyl)benzonitrile
CAS Number:
57479-26-2
Molecular Formula:
C16H10N2
Molecular Weight:
230.2640
IUPAC Name:
4-quinolin-3-ylbenzonitrile
InChI:
InChI=1S/C16H10N2/c17-10-12-5-7-13(8-6-12)15-9-14-3-1-2-4-16(14)18-11-15/h1-9,11H
InChI Key:
JCIDLGRBJZTYQR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cnc2c(c1)cccc2
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.27g/mol
Monoisotopic Mass:
230.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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