Home Nitriles 3-(Bromomethyl)-4-fluorobenzonitrile

3-(Bromomethyl)-4-fluorobenzonitrile

CAS No.:
856935-35-8
Catalog Number:
AG003I74
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
tech grade
In Stock USA
United States
$228
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Product Description
Catalog Number:
AG003I74
Chemical Name:
3-(Bromomethyl)-4-fluorobenzonitrile
CAS Number:
856935-35-8
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
MDL Number:
MFCD08275458
IUPAC Name:
3-(bromomethyl)-4-fluorobenzonitrile
InChI:
InChI=1S/C8H5BrFN/c9-4-7-3-6(5-11)1-2-8(7)10/h1-3H,4H2
InChI Key:
JXQHMLRWRPHXIT-UHFFFAOYSA-N
SMILES:
BrCc1cc(C#N)ccc1F
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:
2.3  
Properties