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Home > Nitro Compounds > 400090-90-6
400090-90-6 | 2-(3-nitrobenzenesulfonamido)benzoic acid
CAS No: 400090-90-6 Catalog No: AG019IY5 MDL No:MFCD03147558
Product Description
Catalog Number:
AG019IY5
Chemical Name:
2-(3-nitrobenzenesulfonamido)benzoic acid
CAS Number:
400090-90-6
Molecular Formula:
C13H10N2O6S
Molecular Weight:
322.2933
MDL Number:
MFCD03147558
IUPAC Name:
2-[(3-nitrophenyl)sulfonylamino]benzoic acid
InChI:
InChI=1S/C13H10N2O6S/c16-13(17)11-6-1-2-7-12(11)14-22(20,21)10-5-3-4-9(8-10)15(18)19/h1-8,14H,(H,16,17)
InChI Key:
BKUNPQRMDNFZLI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1C(=O)O
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.026g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.291g/mol
Monoisotopic Mass:
322.026g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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