Home Nitriles 2-fluoro-6-(piperazin-1-yl)benzonitrile hydrochloride

2-fluoro-6-(piperazin-1-yl)benzonitrile hydrochloride

CAS No.:
1172753-27-3
Catalog Number:
AG019MPH
Molecular Formula:
C11H13ClFN3
Molecular Weight:
241.6924
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Product Description
Catalog Number:
AG019MPH
Chemical Name:
2-fluoro-6-(piperazin-1-yl)benzonitrile hydrochloride
CAS Number:
1172753-27-3
Molecular Formula:
C11H13ClFN3
Molecular Weight:
241.6924
MDL Number:
MFCD11099448
IUPAC Name:
2-fluoro-6-piperazin-1-ylbenzonitrile;hydrochloride
InChI:
InChI=1S/C11H12FN3.ClH/c12-10-2-1-3-11(9(10)8-13)15-6-4-14-5-7-15;/h1-3,14H,4-7H2;1H
InChI Key:
KVPRAWBLGRTSHW-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)cccc1N1CCNCC1.Cl
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.078g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.694g/mol
Monoisotopic Mass:
241.078g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties