Home Nitriles 2-Bromobenzoylacetonitrile

2-Bromobenzoylacetonitrile

CAS No.:
53882-80-7
Catalog Number:
AG003GRN
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$44
- +
5g
95%
In Stock USA
United States
$137
- +
10g
95%
In Stock USA
United States
$238
- +
25g
95%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG003GRN
Chemical Name:
2-Bromobenzoylacetonitrile
CAS Number:
53882-80-7
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
MDL Number:
MFCD02260798
IUPAC Name:
3-(2-bromophenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C9H6BrNO/c10-8-4-2-1-3-7(8)9(12)5-6-11/h1-4H,5H2
InChI Key:
KETIGQNBJUHYCA-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccccc1Br
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:
2.2  
Properties