Home Other Building Blocks 4-Bromo-2-fluorobenzyl cyanide

4-Bromo-2-fluorobenzyl cyanide

CAS No.:
114897-91-5
Catalog Number:
AG000FE9
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$75
- +
100g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG000FE9
Chemical Name:
4-Bromo-2-fluorobenzyl cyanide
CAS Number:
114897-91-5
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
MDL Number:
MFCD07368653
IUPAC Name:
2-(4-bromo-2-fluorophenyl)acetonitrile
InChI:
InChI=1S/C8H5BrFN/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2
InChI Key:
QLASQEZPJFNZQC-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1F)Br
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.959g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.037g/mol
Monoisotopic Mass:
212.959g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties