Home Nitriles 5-Bromo-2-(piperidin-1-yl)benzonitrile

5-Bromo-2-(piperidin-1-yl)benzonitrile

CAS No.:
876918-30-8
Catalog Number:
AG004NS8
Molecular Formula:
C12H13BrN2
Molecular Weight:
265.1490
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG004NS8
Chemical Name:
5-Bromo-2-(piperidin-1-yl)benzonitrile
CAS Number:
876918-30-8
Molecular Formula:
C12H13BrN2
Molecular Weight:
265.1490
MDL Number:
MFCD11037627
IUPAC Name:
5-bromo-2-piperidin-1-ylbenzonitrile
InChI:
InChI=1S/C12H13BrN2/c13-11-4-5-12(10(8-11)9-14)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2
InChI Key:
WOAHPAAQAVSBEO-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)ccc1N1CCCCC1
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.026g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.154g/mol
Monoisotopic Mass:
264.026g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties