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Home > Nitro Compounds > 832726-69-9
832726-69-9 | Benzenesulfonic acid, 2-[(4-hydroxyphenyl)thio]-5-nitro-, phenyl ester
CAS No: 832726-69-9 Catalog No: AG004TBQ MDL No:
Product Description
Catalog Number:
AG004TBQ
Chemical Name:
Benzenesulfonic acid, 2-[(4-hydroxyphenyl)thio]-5-nitro-, phenyl ester
CAS Number:
832726-69-9
Molecular Formula:
C18H13NO6S2
Molecular Weight:
403.4289
IUPAC Name:
phenyl 2-(4-hydroxyphenyl)sulfanyl-5-nitrobenzenesulfonate
InChI:
InChI=1S/C18H13NO6S2/c20-14-7-9-16(10-8-14)26-17-11-6-13(19(21)22)12-18(17)27(23,24)25-15-4-2-1-3-5-15/h1-12,20H
InChI Key:
JEYZVFSGPLBRTJ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Sc1ccc(cc1S(=O)(=O)Oc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.018g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
403.423g/mol
Monoisotopic Mass:
403.018g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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