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

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

CAS No.:
501420-63-9
Catalog Number:
AG0039ZM
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$30
- +
5g
98%
In Stock USA
United States
$90
- +
10g
98%
In Stock USA
United States
$145
- +
25g
98%
In Stock USA
United States
$270
- +
Product Description
Catalog Number:
AG0039ZM
Chemical Name:
2-(3-Bromo-4-fluorophenyl)acetonitrile
CAS Number:
501420-63-9
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
MDL Number:
MFCD08458154
IUPAC Name:
2-(3-bromo-4-fluorophenyl)acetonitrile
InChI:
InChI=1S/C8H5BrFN/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5H,3H2
InChI Key:
ORKCKZRBHXMWBO-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)Br)F
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