Home Nitriles 4-(3-Bromophenyl)-4-oxobutyronitrile

4-(3-Bromophenyl)-4-oxobutyronitrile

CAS No.:
884504-63-6
Catalog Number:
AG004IO9
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$114
- +
5g
1 week
United States
$320
- +
10g
1 week
United States
$531
- +
25g
1 week
United States
$1125
- +
Product Description
Catalog Number:
AG004IO9
Chemical Name:
4-(3-Bromophenyl)-4-oxobutyronitrile
CAS Number:
884504-63-6
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
MDL Number:
MFCD02260539
IUPAC Name:
4-(3-bromophenyl)-4-oxobutanenitrile
InChI:
InChI=1S/C10H8BrNO/c11-9-4-1-3-8(7-9)10(13)5-2-6-12/h1,3-4,7H,2,5H2
InChI Key:
VBCZDOXEUMMZLF-UHFFFAOYSA-N
SMILES:
N#CCCC(=O)c1cccc(c1)Br
Properties
Complexity:
230  
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:
3  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties