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941256-92-4 | 2-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanol
CAS No: 941256-92-4 Catalog No: AG00IHXZ MDL No:MFCD09761464
Product Description
Catalog Number:
AG00IHXZ
Chemical Name:
2-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanol
CAS Number:
941256-92-4
Molecular Formula:
C12H17IN2O3S
Molecular Weight:
396.2445
MDL Number:
MFCD09761464
IUPAC Name:
2-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanol
InChI:
InChI=1S/C12H17IN2O3S/c13-11-1-3-12(4-2-11)19(17,18)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10H2
InChI Key:
DNIISBMAQGGFND-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)S(=O)(=O)c1ccc(cc1)I
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
396.243g/mol
Monoisotopic Mass:
396g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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