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Home Sulfos 2-(((4-bromophenyl)sulfonyl)amino)-benzoicaci

2-(((4-bromophenyl)sulfonyl)amino)-benzoicaci

CAS No.:
51012-29-4
Catalog Number:
AG00DIF7
Molecular Formula:
C13H10BrNO4S
Molecular Weight:
356.1918
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Product Description
Catalog Number:
AG00DIF7
Chemical Name:
2-(((4-bromophenyl)sulfonyl)amino)-benzoicaci
CAS Number:
51012-29-4
Molecular Formula:
C13H10BrNO4S
Molecular Weight:
356.1918
MDL Number:
MFCD00583502
IUPAC Name:
2-[(4-bromophenyl)sulfonylamino]benzoic acid
InChI:
InChI=1S/C13H10BrNO4S/c14-9-5-7-10(8-6-9)20(18,19)15-12-4-2-1-3-11(12)13(16)17/h1-8,15H,(H,16,17)
InChI Key:
RPCZXFGZZGTKIV-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)O
Properties
Complexity:
440  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.951g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
356.19g/mol
Monoisotopic Mass:
354.951g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Poly[hemi-μ-aqua-[μ-2-(2-bromobenzenesulfonamido)benzoato]sodium(I)]. Acta crystallographica. Section E, Structure reports online 20090801
Properties