Home Nitriles 2-(3-Chloro-5-fluorophenyl)acetonitrile

2-(3-Chloro-5-fluorophenyl)acetonitrile

CAS No.:
493038-93-0
Catalog Number:
AG0037U8
Molecular Formula:
C8H5ClFN
Molecular Weight:
169.5834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(GC)
1 week
United States
$131
- +
Product Description
Catalog Number:
AG0037U8
Chemical Name:
2-(3-Chloro-5-fluorophenyl)acetonitrile
CAS Number:
493038-93-0
Molecular Formula:
C8H5ClFN
Molecular Weight:
169.5834
MDL Number:
MFCD04038259
IUPAC Name:
2-(3-chloro-5-fluorophenyl)acetonitrile
InChI:
InChI=1S/C8H5ClFN/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1H2
InChI Key:
GWPLYSLPTCBNDL-UHFFFAOYSA-N
SMILES:
N#CCc1cc(F)cc(c1)Cl
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.009g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.583g/mol
Monoisotopic Mass:
169.009g/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