200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 1023549-76-9
1023549-76-9 | 4-(4-Isoquinolyl)benzonitrile
CAS No: 1023549-76-9 Catalog No: AG01FF46 MDL No:
Product Description
Catalog Number:
AG01FF46
Chemical Name:
4-(4-Isoquinolyl)benzonitrile
CAS Number:
1023549-76-9
Molecular Formula:
C16H10N2
Molecular Weight:
230.2640
IUPAC Name:
4-isoquinolin-4-ylbenzonitrile
InChI:
InChI=1S/C16H10N2/c17-9-12-5-7-13(8-6-12)16-11-18-10-14-3-1-2-4-15(14)16/h1-8,10-11H
InChI Key:
DHNLXQLVANSLJK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cncc2c1cccc2
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:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.