Home Nitriles 3-Bromo-5-fluorophenylacetonitrile

3-Bromo-5-fluorophenylacetonitrile

CAS No.:
305800-58-2
Catalog Number:
AG0030L3
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$88
- +
5g
98%
In Stock USA
United States
$307
- +
10g
98%
In Stock USA
United States
$532
- +
Product Description
Catalog Number:
AG0030L3
Chemical Name:
3-Bromo-5-fluorophenylacetonitrile
CAS Number:
305800-58-2
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
MDL Number:
MFCD09258960
IUPAC Name:
2-(3-bromo-5-fluorophenyl)acetonitrile
InChI:
InChI=1S/C8H5BrFN/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1H2
InChI Key:
FSKMLBLIAOVQCF-UHFFFAOYSA-N
SMILES:
N#CCc1cc(F)cc(c1)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