Home Nitriles 4-Chloro-2-(piperidin-1-yl)benzonitrile

4-Chloro-2-(piperidin-1-yl)benzonitrile

CAS No.:
689141-95-5
Catalog Number:
AG00IBVS
Molecular Formula:
C12H13ClN2
Molecular Weight:
220.6980
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
10g
98%
In Stock USA
United States
$350
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00IBVS
Chemical Name:
4-Chloro-2-(piperidin-1-yl)benzonitrile
CAS Number:
689141-95-5
Molecular Formula:
C12H13ClN2
Molecular Weight:
220.6980
MDL Number:
MFCD09865160
IUPAC Name:
4-chloro-2-piperidin-1-ylbenzonitrile
InChI:
InChI=1S/C12H13ClN2/c13-11-5-4-10(9-14)12(8-11)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2
InChI Key:
RCDRDHWZPRRGDW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1N1CCCCC1)Cl
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.077g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.7g/mol
Monoisotopic Mass:
220.077g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties