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Home > Fluorides > 883874-55-3
883874-55-3 | 1-Piperazinebutanenitrile, 4-(2-fluorophenyl)-
CAS No: 883874-55-3 Catalog No: AG004FQX MDL No:MFCD13233797
Product Description
Catalog Number:
AG004FQX
Chemical Name:
1-Piperazinebutanenitrile, 4-(2-fluorophenyl)-
CAS Number:
883874-55-3
Molecular Formula:
C14H18FN3
Molecular Weight:
247.3112
MDL Number:
MFCD13233797
IUPAC Name:
4-[4-(2-fluorophenyl)piperazin-1-yl]butanenitrile
InChI:
InChI=1S/C14H18FN3/c15-13-5-1-2-6-14(13)18-11-9-17(10-12-18)8-4-3-7-16/h1-2,5-6H,3-4,8-12H2
InChI Key:
IWNMRSNOZNTCPJ-UHFFFAOYSA-N
SMILES:
N#CCCCN1CCN(CC1)c1ccccc1F
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.148g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.317g/mol
Monoisotopic Mass:
247.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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