Home Other Building Blocks 1-Cyanoisoquinoline

1-Cyanoisoquinoline

CAS No.:
1198-30-7
Catalog Number:
AG000PO1
Molecular Formula:
C10H6N2
Molecular Weight:
154.1680
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$169
- +
25g
98%
In Stock USA
United States
$619
- +
Product Description
Catalog Number:
AG000PO1
Chemical Name:
1-Cyanoisoquinoline
CAS Number:
1198-30-7
Molecular Formula:
C10H6N2
Molecular Weight:
154.1680
MDL Number:
MFCD00134166
IUPAC Name:
isoquinoline-1-carbonitrile
InChI:
InChI=1S/C10H6N2/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-6H
InChI Key:
HJHXYSBRTVFEDD-UHFFFAOYSA-N
SMILES:
N#Cc1nccc2c1cccc2
NSC Number:
203335
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:
2.3  
Literature
Title Journal
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties