Home Nitriles 3-fluoro-4-(piperidin-4-yloxy)benzonitrile hydrochloride

3-fluoro-4-(piperidin-4-yloxy)benzonitrile hydrochloride

CAS No.:
1799968-81-2
Catalog Number:
AG01BAO2
Molecular Formula:
C12H14ClFN2O
Molecular Weight:
256.7038
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BAO2
Chemical Name:
3-fluoro-4-(piperidin-4-yloxy)benzonitrile hydrochloride
CAS Number:
1799968-81-2
Molecular Formula:
C12H14ClFN2O
Molecular Weight:
256.7038
MDL Number:
MFCD28505751
IUPAC Name:
3-fluoro-4-piperidin-4-yloxybenzonitrile;hydrochloride
InChI:
InChI=1S/C12H13FN2O.ClH/c13-11-7-9(8-14)1-2-12(11)16-10-3-5-15-6-4-10;/h1-2,7,10,15H,3-6H2;1H
InChI Key:
KVYOWYLKXDEMKS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)OC1CCNCC1.Cl
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.078g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
256.705g/mol
Monoisotopic Mass:
256.078g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties