Home Nitriles 3-Fluoro-4-(piperidin-1-yl)benzonitrile

3-Fluoro-4-(piperidin-1-yl)benzonitrile

CAS No.:
505080-54-6
Catalog Number:
AG00I92K
Molecular Formula:
C12H13FN2
Molecular Weight:
204.2434
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$75
- +
5g
97%
In Stock USA
United States
$225
- +
10g
97%
In Stock USA
United States
$350
- +
25g
97%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00I92K
Chemical Name:
3-Fluoro-4-(piperidin-1-yl)benzonitrile
CAS Number:
505080-54-6
Molecular Formula:
C12H13FN2
Molecular Weight:
204.2434
MDL Number:
MFCD03043989
IUPAC Name:
3-fluoro-4-piperidin-1-ylbenzonitrile
InChI:
InChI=1S/C12H13FN2/c13-11-8-10(9-14)4-5-12(11)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2
InChI Key:
ATWAMCJDNQDOEA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)N1CCCCC1
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.106g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.248g/mol
Monoisotopic Mass:
204.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties