Home Nitriles 2-(4-Bromophenyl)-3-oxobutanenitrile

2-(4-Bromophenyl)-3-oxobutanenitrile

CAS No.:
6186-21-6
Catalog Number:
AG00EKPH
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$188
- +
5g
98%
In Stock USA
United States
$585
- +
10g
98%
In Stock USA
United States
$870
- +
Product Description
Catalog Number:
AG00EKPH
Chemical Name:
2-(4-Bromophenyl)-3-oxobutanenitrile
CAS Number:
6186-21-6
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
MDL Number:
MFCD19216681
IUPAC Name:
2-(4-bromophenyl)-3-oxobutanenitrile
InChI:
InChI=1S/C10H8BrNO/c1-7(13)10(6-12)8-2-4-9(11)5-3-8/h2-5,10H,1H3
InChI Key:
KBODHHFICHANMJ-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)Br)C(=O)C
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.979g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.084g/mol
Monoisotopic Mass:
236.979g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties