Cas no 61174-45-6 (Benzene, 1-azido-2-[(4-methylphenyl)sulfonyl]-)
![Benzene, 1-azido-2-[(4-methylphenyl)sulfonyl]- structure](https://ossimg.kuujia.com/scimg/61500/61174-45-6x500.png)
61174-45-6 structure
Product Name:Benzene, 1-azido-2-[(4-methylphenyl)sulfonyl]-
CAS No:61174-45-6
MF:C13H11N3O2S
MW:273.310341119766
CID:489600
PubChem ID:71398611
Update Time:2025-04-19
Benzene, 1-azido-2-[(4-methylphenyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-azido-2-[(4-methylphenyl)sulfonyl]-
- 1-azido-2-(4-methylphenyl)sulfonylbenzene
- 1-Azido-2-(4-methylbenzene-1-sulfonyl)benzene
- 61174-45-6
- DTXSID80820026
-
- Inchi： 1S/C13H11N3O2S/c1-10-6-8-11(9-7-10)19(17,18)13-5-3-2-4-12(13)15-16-14/h2-9H,1H3
- InChI Key： URHAWASVLSAFFI-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1N=[N+]=[N-])(C1C=CC(C)=CC=1)(=O)=O
Computed Properties
- Exact Mass: 273.05733
- Monoisotopic Mass: 273.05719778g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 443
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 56.9?2
Experimental Properties
- PSA: 82.9
Benzene, 1-azido-2-[(4-methylphenyl)sulfonyl]- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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