Home Nitriles 2-(isoquinolin-1-yl)acetonitrile

2-(isoquinolin-1-yl)acetonitrile

CAS No.:
27295-99-4
Catalog Number:
AG01BD5X
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
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Product Description
Catalog Number:
AG01BD5X
Chemical Name:
2-(isoquinolin-1-yl)acetonitrile
CAS Number:
27295-99-4
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
MDL Number:
MFCD12401138
IUPAC Name:
2-isoquinolin-1-ylacetonitrile
InChI:
InChI=1S/C11H8N2/c12-7-5-11-10-4-2-1-3-9(10)6-8-13-11/h1-4,6,8H,5H2
InChI Key:
PPNHQDSOMMJMTG-UHFFFAOYSA-N
SMILES:
N#CCc1nccc2c1cccc2
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.069g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.199g/mol
Monoisotopic Mass:
168.069g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties