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Home Sulfos 1-(3-methanesulfonylbenzoyl)piperazine hydrochloride

1-(3-methanesulfonylbenzoyl)piperazine hydrochloride

CAS No.:
1311315-43-1
Catalog Number:
AG01AIM8
Molecular Formula:
C12H17ClN2O3S
Molecular Weight:
304.7930
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Product Description
Catalog Number:
AG01AIM8
Chemical Name:
1-(3-methanesulfonylbenzoyl)piperazine hydrochloride
CAS Number:
1311315-43-1
Molecular Formula:
C12H17ClN2O3S
Molecular Weight:
304.7930
MDL Number:
MFCD18917328
IUPAC Name:
(3-methylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
InChI:
InChI=1S/C12H16N2O3S.ClH/c1-18(16,17)11-4-2-3-10(9-11)12(15)14-7-5-13-6-8-14;/h2-4,9,13H,5-8H2,1H3;1H
InChI Key:
KBRWEHHWELTNMZ-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)S(=O)(=O)C)N1CCNCC1.Cl
Properties
Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.065g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
304.789g/mol
Monoisotopic Mass:
304.065g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties