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Home > Nitro Compounds > 328028-57-5
328028-57-5 | 3-[(4-nitrophenyl)sulfamoyl]benzoic acid
CAS No: 328028-57-5 Catalog No: AG019GIE MDL No:MFCD02704642
Product Description
Catalog Number:
AG019GIE
Chemical Name:
3-[(4-nitrophenyl)sulfamoyl]benzoic acid
CAS Number:
328028-57-5
Molecular Formula:
C13H10N2O6S
Molecular Weight:
322.2933
MDL Number:
MFCD02704642
IUPAC Name:
3-[(4-nitrophenyl)sulfamoyl]benzoic acid
InChI:
InChI=1S/C13H10N2O6S/c16-13(17)9-2-1-3-12(8-9)22(20,21)14-10-4-6-11(7-5-10)15(18)19/h1-8,14H,(H,16,17)
InChI Key:
PRWBOHFORNIFNJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)NS(=O)(=O)c1cccc(c1)C(=O)O
Properties
Complexity:
516
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:
2.3
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