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Home > Fluorides > 887453-53-4
887453-53-4 | 1-[2-fluoro-4-(methylsulphonyl)phenyl]-4-(2-hydroxyethyl)piperazine
CAS No: 887453-53-4 Catalog No: AG01EYI6 MDL No:
Product Description
Catalog Number:
AG01EYI6
Chemical Name:
1-[2-fluoro-4-(methylsulphonyl)phenyl]-4-(2-hydroxyethyl)piperazine
CAS Number:
887453-53-4
Molecular Formula:
C13H19FN2O3S
Molecular Weight:
302.3650
IUPAC Name:
2-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]ethanol
InChI:
InChI=1S/C13H19FN2O3S/c1-20(18,19)11-2-3-13(12(14)10-11)16-6-4-15(5-7-16)8-9-17/h2-3,10,17H,4-9H2,1H3
InChI Key:
KISDPIUPCCXXCR-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)c1ccc(cc1F)S(=O)(=O)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.364g/mol
Monoisotopic Mass:
302.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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