Home Nitriles 4-(Cyanomethyl)benzene-1,2-dicarbonitrile

4-(Cyanomethyl)benzene-1,2-dicarbonitrile

CAS No.:
1000540-60-2
Catalog Number:
AG00H94U
Molecular Formula:
C10H5N3
Molecular Weight:
167.1668
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
1 week
United States
$191
- +
250mg
97%
1 week
United States
$306
- +
1g
97%
1 week
United States
$766
- +
Product Description
Catalog Number:
AG00H94U
Chemical Name:
4-(Cyanomethyl)benzene-1,2-dicarbonitrile
CAS Number:
1000540-60-2
Molecular Formula:
C10H5N3
Molecular Weight:
167.1668
MDL Number:
MFCD09923935
IUPAC Name:
4-(cyanomethyl)benzene-1,2-dicarbonitrile
InChI:
InChI=1S/C10H5N3/c11-4-3-8-1-2-9(6-12)10(5-8)7-13/h1-2,5H,3H2
InChI Key:
DNTJEZLMBRPHMI-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)C#N)C#N
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.171g/mol
Monoisotopic Mass:
167.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties