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385404-09-1 | 1-((4-Bromophenyl);sulfonyl);-4-ethylpiperazine
CAS No: 385404-09-1 Catalog No: AG003CS2 MDL No:MFCD02656010
Product Description
Catalog Number:
AG003CS2
Chemical Name:
1-((4-Bromophenyl);sulfonyl);-4-ethylpiperazine
CAS Number:
385404-09-1
Molecular Formula:
C12H17BrN2O2S
Molecular Weight:
333.2446
MDL Number:
MFCD02656010
IUPAC Name:
1-(4-bromophenyl)sulfonyl-4-ethylpiperazine
InChI:
InChI=1S/C12H17BrN2O2S/c1-2-14-7-9-15(10-8-14)18(16,17)12-5-3-11(13)4-6-12/h3-6H,2,7-10H2,1H3
InChI Key:
LHCALHHNDMVNJO-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.019g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.244g/mol
Monoisotopic Mass:
332.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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