Home Nitriles 4-(4-Bromo-2-fluorophenyl)butanenitrile

4-(4-Bromo-2-fluorophenyl)butanenitrile

CAS No.:
1057672-39-5
Catalog Number:
AG00941X
Molecular Formula:
C10H9BrFN
Molecular Weight:
242.0876
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$275
- +
1g
96%
In Stock USA
United States
$688
- +
Product Description
Catalog Number:
AG00941X
Chemical Name:
4-(4-Bromo-2-fluorophenyl)butanenitrile
CAS Number:
1057672-39-5
Molecular Formula:
C10H9BrFN
Molecular Weight:
242.0876
MDL Number:
MFCD09744540
IUPAC Name:
4-(4-bromo-2-fluorophenyl)butanenitrile
InChI:
InChI=1S/C10H9BrFN/c11-9-5-4-8(10(12)7-9)3-1-2-6-13/h4-5,7H,1-3H2
InChI Key:
VYVVZEIJTZBUQD-UHFFFAOYSA-N
SMILES:
N#CCCCc1ccc(cc1F)Br
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.99g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.091g/mol
Monoisotopic Mass:
240.99g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties