Home Nitriles 3-(2-Bromoacetyl)benzonitrile

3-(2-Bromoacetyl)benzonitrile

CAS No.:
50916-55-7
Catalog Number:
AG0035VQ
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$32
- +
5g
97%
In Stock USA
United States
$88
- +
10g
97%
In Stock USA
United States
$138
- +
25g
97%
In Stock USA
United States
$282
- +
100g
97%
In Stock USA
United States
$1063
- +
Product Description
Catalog Number:
AG0035VQ
Chemical Name:
3-(2-Bromoacetyl)benzonitrile
CAS Number:
50916-55-7
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
MDL Number:
MFCD00833267
IUPAC Name:
3-(2-bromoacetyl)benzonitrile
InChI:
InChI=1S/C9H6BrNO/c10-5-9(12)8-3-1-2-7(4-8)6-11/h1-4H,5H2
InChI Key:
XWCGNFLHRINYCE-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cccc(c1)C#N
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.963g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.057g/mol
Monoisotopic Mass:
222.963g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Switching reversibility to irreversibility in glycogen synthase kinase 3 inhibitors: clues for specific design of new compounds. Journal of medicinal chemistry 20110623
Properties