Home Nitriles 3-(4-Bromo-2-fluorophenyl)-3-oxopropanenitrile

3-(4-Bromo-2-fluorophenyl)-3-oxopropanenitrile

CAS No.:
267880-92-2
Catalog Number:
AG00BH0L
Molecular Formula:
C9H5BrFNO
Molecular Weight:
242.0445
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$77
- +
250mg
95%
In Stock USA
United States
$139
- +
1g
95%
In Stock USA
United States
$278
- +
5g
95%
In Stock USA
United States
$832
- +
Product Description
Catalog Number:
AG00BH0L
Chemical Name:
3-(4-Bromo-2-fluorophenyl)-3-oxopropanenitrile
CAS Number:
267880-92-2
Molecular Formula:
C9H5BrFNO
Molecular Weight:
242.0445
MDL Number:
MFCD09607907
IUPAC Name:
3-(4-bromo-2-fluorophenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C9H5BrFNO/c10-6-1-2-7(8(11)5-6)9(13)3-4-12/h1-2,5H,3H2
InChI Key:
JYQGDFCINOSMOC-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccc(cc1F)Br
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.954g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.047g/mol
Monoisotopic Mass:
240.954g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties