Home Nitriles 3-Fluoro-2-(piperazin-1-yl)benzonitrile

3-Fluoro-2-(piperazin-1-yl)benzonitrile

CAS No.:
1233026-65-7
Catalog Number:
AG000KAM
Molecular Formula:
C11H12FN3
Molecular Weight:
205.2315
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$125
- +
1g
95%
In Stock USA
United States
$313
- +
5g
95%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG000KAM
Chemical Name:
3-Fluoro-2-(piperazin-1-yl)benzonitrile
CAS Number:
1233026-65-7
Molecular Formula:
C11H12FN3
Molecular Weight:
205.2315
MDL Number:
MFCD17214283
IUPAC Name:
3-fluoro-2-piperazin-1-ylbenzonitrile
InChI:
InChI=1S/C11H12FN3/c12-10-3-1-2-9(8-13)11(10)15-6-4-14-5-7-15/h1-3,14H,4-7H2
InChI Key:
BSCQTNZKNNTAGP-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1N1CCNCC1)F
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.102g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.236g/mol
Monoisotopic Mass:
205.102g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties