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

2-(3-Bromophenyl)-3-oxobutanenitrile

CAS No.:
30118-02-6
Catalog Number:
AG00BIFJ
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$138
- +
5g
98%
In Stock USA
United States
$450
- +
10g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00BIFJ
Chemical Name:
2-(3-Bromophenyl)-3-oxobutanenitrile
CAS Number:
30118-02-6
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
MDL Number:
MFCD12138972
IUPAC Name:
2-(3-bromophenyl)-3-oxobutanenitrile
InChI:
InChI=1S/C10H8BrNO/c1-7(13)10(6-12)8-3-2-4-9(11)5-8/h2-5,10H,1H3
InChI Key:
YNSRFDBOLZEERT-UHFFFAOYSA-N
SMILES:
N#CC(c1cccc(c1)Br)C(=O)C
Properties
Complexity:
243  
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