Cas no 108825-27-0 (Benzenesulfonic acid,2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-5-methyl-, barium salt (2:1))
![Benzenesulfonic acid,2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-5-methyl-, barium salt (2:1) structure](https://ossimg.kuujia.com/scimg/109000/108825-27-0x500.png)
108825-27-0 structure
Product Name:Benzenesulfonic acid,2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-5-methyl-, barium salt (2:1)
CAS No:108825-27-0
MF:C34H26BaN4O8S2
MW:820.049241542816
CID:188959
PubChem ID:136055800
Update Time:2025-04-19
Benzenesulfonic acid,2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-5-methyl-, barium salt (2:1) Chemical and Physical Properties
Names and Identifiers
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- Benzenesulfonic acid,2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-5-methyl-, barium salt (2:1)
- Benzenesulfonic acid, 2-((2-hydroxy-1-naphthalenyl)azo)-5-methyl-, barium salt (2:1)
- barium(2+),5-methyl-2-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate
- Benzenesulfonic acid, 2-[(2-hydroxy-1-naphthalenyl)azo]-5-methyl-, barium salt (2:1)
- 108825-27-0
- Benzenesulfonic acid, 2-(2-(2-hydroxy-1-naphthalenyl)diazenyl)-5-methyl-, barium salt (2:1)
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- Inchi： 1S/2C17H14N2O4S.Ba/c2*1-11-6-8-14(16(10-11)24(21,22)23)18-19-17-13-5-3-2-4-12(13)7-9-15(17)20;/h2*2-10,20H,1H3,(H,21,22,23);/q;;+2/p-2/b2*19-18+;
- InChI Key： JDNUEJZWMBPPMW-VFUQPONKSA-L
- SMILES： [Ba+2].S(C1C=C(C)C=CC=1/N=N/C1C(=CC=C2C=CC=CC2=1)O)(=O)(=O)[O-].S(C1C=C(C)C=CC=1/N=N/C1C(=CC=C2C=CC=CC2=1)O)(=O)(=O)[O-]
Computed Properties
- Exact Mass: 820.024
- Monoisotopic Mass: 820.024
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 49
- Rotatable Bond Count: 4
- Complexity: 637
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 214A^2
Experimental Properties
- PSA: 214.08000
- LogP: 6.93000
Benzenesulfonic acid,2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-5-methyl-, barium salt (2:1) Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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