Home Sulfos 4-(Methylsulfonyl)-2-piperazinobenzoic Acid

4-(Methylsulfonyl)-2-piperazinobenzoic Acid

CAS No.:
1197193-32-0
Catalog Number:
AG0099PF
Molecular Formula:
C12H16N2O4S
Molecular Weight:
284.3314
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Product Description
Catalog Number:
AG0099PF
Chemical Name:
4-(Methylsulfonyl)-2-piperazinobenzoic Acid
CAS Number:
1197193-32-0
Molecular Formula:
C12H16N2O4S
Molecular Weight:
284.3314
MDL Number:
MFCD13191615
IUPAC Name:
4-methylsulfonyl-2-piperazin-1-ylbenzoic acid
InChI:
InChI=1S/C12H16N2O4S/c1-19(17,18)9-2-3-10(12(15)16)11(8-9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3,(H,15,16)
InChI Key:
ASKWQQQKWKPTSH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1N1CCNCC1)S(=O)(=O)C
Properties
Complexity:
426  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.083g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
284.33g/mol
Monoisotopic Mass:
284.083g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1  
Properties