Home Nitriles Benzonitrile, 3-isocyanato-

Benzonitrile, 3-isocyanato-

CAS No.:
16413-26-6
Catalog Number:
AG001UOH
Molecular Formula:
C8H4N2O
Molecular Weight:
144.1302
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%
In Stock USA
United States
$126
- +
5g
99%
In Stock USA
United States
$239
- +
25g
99%
In Stock USA
United States
$641
- +
Product Description
Catalog Number:
AG001UOH
Chemical Name:
Benzonitrile, 3-isocyanato-
CAS Number:
16413-26-6
Molecular Formula:
C8H4N2O
Molecular Weight:
144.1302
MDL Number:
MFCD00013856
IUPAC Name:
3-isocyanatobenzonitrile
InChI:
InChI=1S/C8H4N2O/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H
InChI Key:
NZHPVPMRNASEQK-UHFFFAOYSA-N
SMILES:
O=C=Nc1cccc(c1)C#N
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.032g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.133g/mol
Monoisotopic Mass:
144.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties