Home Nitriles 3-Isoquinolinecarbonitrile

3-Isoquinolinecarbonitrile

CAS No.:
26947-41-1
Catalog Number:
AG0037GL
Molecular Formula:
C10H6N2
Molecular Weight:
154.1680
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$88
- +
5g
98%
In Stock USA
United States
$288
- +
10g
98%
In Stock USA
United States
$475
- +
25g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG0037GL
Chemical Name:
3-Isoquinolinecarbonitrile
CAS Number:
26947-41-1
Molecular Formula:
C10H6N2
Molecular Weight:
154.1680
MDL Number:
MFCD00075136
IUPAC Name:
isoquinoline-3-carbonitrile
InChI:
InChI=1S/C10H6N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-5,7H
InChI Key:
GXXBVBVNGMCFIU-UHFFFAOYSA-N
SMILES:
N#Cc1ncc2c(c1)cccc2
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.053g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.172g/mol
Monoisotopic Mass:
154.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties