Home Nitriles 2-(2-(4-Bromophenyl)-2-oxoethyl)malononitrile

2-(2-(4-Bromophenyl)-2-oxoethyl)malononitrile

CAS No.:
26454-82-0
Catalog Number:
AG002T9X
Molecular Formula:
C11H7BrN2O
Molecular Weight:
263.0901
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$168
- +
250mg
95%
In Stock USA
United States
$294
- +
1g
95%
In Stock USA
United States
$588
- +
Product Description
Catalog Number:
AG002T9X
Chemical Name:
2-(2-(4-Bromophenyl)-2-oxoethyl)malononitrile
CAS Number:
26454-82-0
Molecular Formula:
C11H7BrN2O
Molecular Weight:
263.0901
MDL Number:
MFCD10003246
IUPAC Name:
2-[2-(4-bromophenyl)-2-oxoethyl]propanedinitrile
InChI:
InChI=1S/C11H7BrN2O/c12-10-3-1-9(2-4-10)11(15)5-8(6-13)7-14/h1-4,8H,5H2
InChI Key:
DJIYFSBMBTYKTJ-UHFFFAOYSA-N
SMILES:
N#CC(CC(=O)c1ccc(cc1)Br)C#N
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.974g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.094g/mol
Monoisotopic Mass:
261.974g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties