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117209-61-7 | Phenol, 4-[(4-methyl-1-piperazinyl)sulfonyl]-
CAS No: 117209-61-7 Catalog No: AG000DXJ MDL No:
Product Description
Catalog Number:
AG000DXJ
Chemical Name:
Phenol, 4-[(4-methyl-1-piperazinyl)sulfonyl]-
CAS Number:
117209-61-7
Molecular Formula:
C11H16N2O3S
Molecular Weight:
256.3213
IUPAC Name:
4-(4-methylpiperazin-1-yl)sulfonylphenol
InChI:
InChI=1S/C11H16N2O3S/c1-12-6-8-13(9-7-12)17(15,16)11-4-2-10(14)3-5-11/h2-5,14H,6-9H2,1H3
InChI Key:
LAYRCNCYOMHWSI-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)O
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.088g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.32g/mol
Monoisotopic Mass:
256.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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