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Home > Fluorides > 845617-58-5
845617-58-5 | 1-[(4-Ethylsulfonyl-2-fluoro)phenyl]piperazine
CAS No: 845617-58-5 Catalog No: AG01EXPG MDL No:
Product Description
Catalog Number:
AG01EXPG
Chemical Name:
1-[(4-Ethylsulfonyl-2-fluoro)phenyl]piperazine
CAS Number:
845617-58-5
Molecular Formula:
C12H17FN2O2S
Molecular Weight:
272.3390
IUPAC Name:
1-(4-ethylsulfonyl-2-fluorophenyl)piperazine
InChI:
InChI=1S/C12H17FN2O2S/c1-2-18(16,17)10-3-4-12(11(13)9-10)15-7-5-14-6-8-15/h3-4,9,14H,2,5-8H2,1H3
InChI Key:
ZGXFBHQTAPXKIK-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1ccc(c(c1)F)N1CCNCC1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.338g/mol
Monoisotopic Mass:
272.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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