Home Nitriles 3-Fluoro-4-piperazinylbenzenecarbonitrile

3-Fluoro-4-piperazinylbenzenecarbonitrile

CAS No.:
182181-38-0
Catalog Number:
AG0023GR
Molecular Formula:
C11H12FN3
Molecular Weight:
205.2315
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$35
- +
5g
96%
In Stock USA
United States
$113
- +
10g
96%
In Stock USA
United States
$200
- +
25g
96%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG0023GR
Chemical Name:
3-Fluoro-4-piperazinylbenzenecarbonitrile
CAS Number:
182181-38-0
Molecular Formula:
C11H12FN3
Molecular Weight:
205.2315
MDL Number:
MFCD03043990
IUPAC Name:
3-fluoro-4-piperazin-1-ylbenzonitrile
InChI:
InChI=1S/C11H12FN3/c12-10-7-9(8-13)1-2-11(10)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2
InChI Key:
VMOBEAUQUPPPON-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)N1CCNCC1
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  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties