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Home Sulfos 2-(2-nitrobenzenesulfonamido)acetic acid

2-(2-nitrobenzenesulfonamido)acetic acid

CAS No.:
15054-42-9
Catalog Number:
AG01BGNO
Molecular Formula:
C8H8N2O6S
Molecular Weight:
260.2239
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Product Description
Catalog Number:
AG01BGNO
Chemical Name:
2-(2-nitrobenzenesulfonamido)acetic acid
CAS Number:
15054-42-9
Molecular Formula:
C8H8N2O6S
Molecular Weight:
260.2239
MDL Number:
MFCD00266111
IUPAC Name:
2-[(2-nitrophenyl)sulfonylamino]acetic acid
InChI:
InChI=1S/C8H8N2O6S/c11-8(12)5-9-17(15,16)7-4-2-1-3-6(7)10(13)14/h1-4,9H,5H2,(H,11,12)
InChI Key:
DJTWAEHEZATPEM-UHFFFAOYSA-N
SMILES:
OC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.01g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
260.22g/mol
Monoisotopic Mass:
260.01g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
Synthesis of quinazolines from N-(2-nitrophenylsulfonyl)iminodiacetate and alpha-(2-nitrophenylsulfonyl)amino ketones via 2H-indazole 1-oxides. The Journal of organic chemistry 20100702
Properties