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Home > Nitro Compounds > 568543-73-7
568543-73-7 | 4-[(3-nitrobenzenesulfonyl)oxy]benzoic acid
CAS No: 568543-73-7 Catalog No: AG019HWJ MDL No:MFCD03964682
Product Description
Catalog Number:
AG019HWJ
Chemical Name:
4-[(3-nitrobenzenesulfonyl)oxy]benzoic acid
CAS Number:
568543-73-7
Molecular Formula:
C13H9NO7S
Molecular Weight:
323.2781
MDL Number:
MFCD03964682
IUPAC Name:
4-(3-nitrophenyl)sulfonyloxybenzoic acid
InChI:
InChI=1S/C13H9NO7S/c15-13(16)9-4-6-11(7-5-9)21-22(19,20)12-3-1-2-10(8-12)14(17)18/h1-8H,(H,15,16)
InChI Key:
QHMZISCDKSPNIG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)Oc1ccc(cc1)C(=O)O
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.01g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.275g/mol
Monoisotopic Mass:
323.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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