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

3-Fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzonitrile

CAS No.:
1157060-75-7
Catalog Number:
AG00HD1Q
Molecular Formula:
C13H15FN2O
Molecular Weight:
234.2694
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$450
- +
10g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00HD1Q
Chemical Name:
3-Fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzonitrile
CAS Number:
1157060-75-7
Molecular Formula:
C13H15FN2O
Molecular Weight:
234.2694
MDL Number:
MFCD11038722
IUPAC Name:
3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzonitrile
InChI:
InChI=1S/C13H15FN2O/c14-12-7-11(8-15)1-2-13(12)16-5-3-10(9-17)4-6-16/h1-2,7,10,17H,3-6,9H2
InChI Key:
BJKHPBLNTOEBFD-UHFFFAOYSA-N
SMILES:
OCC1CCN(CC1)c1ccc(cc1F)C#N
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.117g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.274g/mol
Monoisotopic Mass:
234.117g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties