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Home > Nitro Compounds > 329905-80-8
329905-80-8 | 2-(2,5-dimethyl-3-nitrobenzenesulfonamido)benzoic acid
CAS No: 329905-80-8 Catalog No: AG019IOW MDL No:MFCD02710091
Product Description
Catalog Number:
AG019IOW
Chemical Name:
2-(2,5-dimethyl-3-nitrobenzenesulfonamido)benzoic acid
CAS Number:
329905-80-8
Molecular Formula:
C15H14N2O6S
Molecular Weight:
350.3465
MDL Number:
MFCD02710091
IUPAC Name:
2-[(2,5-dimethyl-3-nitrophenyl)sulfonylamino]benzoic acid
InChI:
InChI=1S/C15H14N2O6S/c1-9-7-13(17(20)21)10(2)14(8-9)24(22,23)16-12-6-4-3-5-11(12)15(18)19/h3-8,16H,1-2H3,(H,18,19)
InChI Key:
CYARIPLCEUAFCX-UHFFFAOYSA-N
SMILES:
Cc1cc(c(c(c1)[N+](=O)[O-])C)S(=O)(=O)Nc1ccccc1C(=O)O
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.057g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.345g/mol
Monoisotopic Mass:
350.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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