Home Nitriles (2-Bromo-3-fluoro-phenyl)acetonitrile

(2-Bromo-3-fluoro-phenyl)acetonitrile

CAS No.:
1000339-53-6
Catalog Number:
AG019DUS
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
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Product Description
Catalog Number:
AG019DUS
Chemical Name:
(2-Bromo-3-fluoro-phenyl)acetonitrile
CAS Number:
1000339-53-6
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
MDL Number:
MFCD09864671
IUPAC Name:
2-(2-bromo-3-fluorophenyl)acetonitrile
InChI:
InChI=1S/C8H5BrFN/c9-8-6(4-5-11)2-1-3-7(8)10/h1-3H,4H2
InChI Key:
FNRKRGGFBOTOAT-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1Br)CC#N
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