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2779-21-7 | Benzenesulfonic acid, 4,4'-(1,2-diazenediyl)bis-
CAS No: 2779-21-7 Catalog No: AG002UQV MDL No:
Product Description
Catalog Number:
AG002UQV
Chemical Name:
Benzenesulfonic acid, 4,4'-(1,2-diazenediyl)bis-
CAS Number:
2779-21-7
Molecular Formula:
C12H10N2O6S2
Molecular Weight:
342.3476
IUPAC Name:
4-[(4-sulfophenyl)diazenyl]benzenesulfonic acid
InChI:
InChI=1S/C12H10N2O6S2/c15-21(16,17)11-5-1-9(2-6-11)13-14-10-3-7-12(8-4-10)22(18,19)20/h1-8H,(H,15,16,17)(H,18,19,20)
InChI Key:
BITYYJJEVOSYCE-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.998g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.34g/mol
Monoisotopic Mass:
341.998g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Light-triggered crystallization of a molecular host-guest complex. | Journal of the American Chemical Society 20100728 |
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