Home Nitriles 2-(Dimethylamino)-6-fluorobenzonitrile

2-(Dimethylamino)-6-fluorobenzonitrile

CAS No.:
96994-73-9
Catalog Number:
AG003H5J
Molecular Formula:
C9H9FN2
Molecular Weight:
164.1796
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG003H5J
Chemical Name:
2-(Dimethylamino)-6-fluorobenzonitrile
CAS Number:
96994-73-9
Molecular Formula:
C9H9FN2
Molecular Weight:
164.1796
MDL Number:
MFCD00052221
IUPAC Name:
2-(dimethylamino)-6-fluorobenzonitrile
InChI:
InChI=1S/C9H9FN2/c1-12(2)9-5-3-4-8(10)7(9)6-11/h3-5H,1-2H3
InChI Key:
WWNKVUULRIWDJZ-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)cccc1N(C)C
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.075g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.183g/mol
Monoisotopic Mass:
164.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties