Home Nitriles 3-Bromobenzoylacetonitrile

3-Bromobenzoylacetonitrile

CAS No.:
70591-86-5
Catalog Number:
AG00676O
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$35
- +
5g
98%
In Stock USA
United States
$124
- +
25g
98%
In Stock USA
United States
$433
- +
100g
98%
In Stock USA
United States
$1238
- +
Product Description
Catalog Number:
AG00676O
Chemical Name:
3-Bromobenzoylacetonitrile
CAS Number:
70591-86-5
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
MDL Number:
MFCD02260778
IUPAC Name:
3-(3-bromophenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C9H6BrNO/c10-8-3-1-2-7(6-8)9(12)4-5-11/h1-3,6H,4H2
InChI Key:
VBFNSHGLANEMRM-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1cccc(c1)Br
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:
1.7  
Properties