Home Sulfos 2-[(4-chloro-3-nitro-phenyl)sulfonylamino]benzoic acid

2-[(4-chloro-3-nitro-phenyl)sulfonylamino]benzoic acid

CAS No.:
68003-38-3
Catalog Number:
AG00616G
Molecular Formula:
C13H9ClN2O6S
Molecular Weight:
356.7384
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Product Description
Catalog Number:
AG00616G
Chemical Name:
2-[(4-chloro-3-nitro-phenyl)sulfonylamino]benzoic acid
CAS Number:
68003-38-3
Molecular Formula:
C13H9ClN2O6S
Molecular Weight:
356.7384
MDL Number:
MFCD00129907
IUPAC Name:
2-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoic acid
InChI:
InChI=1S/C13H9ClN2O6S/c14-10-6-5-8(7-12(10)16(19)20)23(21,22)15-11-4-2-1-3-9(11)13(17)18/h1-7,15H,(H,17,18)
InChI Key:
NJTHPOSQGFJTDP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Nc1ccccc1C(=O)O
EC Number:
268-121-3
Properties
Complexity:
558  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.987g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
356.733g/mol
Monoisotopic Mass:
355.987g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties