Cas no 54737-49-4 (Benzonitrile, 2-(phenylsulfonyl)-)
54737-49-4 structure
Product Name:Benzonitrile, 2-(phenylsulfonyl)-
CAS No:54737-49-4
MF:C13H9NO2S
MW:243.281061887741
CID:353813
PubChem ID:640915
Update Time:2025-04-19
Benzonitrile, 2-(phenylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 2-(phenylsulfonyl)-
- 2-(benzenesulfonyl)benzonitrile
- UZQXUSQOIXIJTE-UHFFFAOYSA-N
- DTXSID60348819
- 2-(phenylsulfonyl)benzonitrile
- 54737-49-4
- SCHEMBL1146161
- InChI=1/C13H9NO2S/c14-10-11-6-4-5-9-13(11)17(15,16)12-7-2-1-3-8-12/h1-9
-
- Inchi： 1S/C13H9NO2S/c14-10-11-6-4-5-9-13(11)17(15,16)12-7-2-1-3-8-12/h1-9H
- InChI Key： UZQXUSQOIXIJTE-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(C1C=CC=CC=1C#N)(=O)=O
Computed Properties
- Exact Mass: 243.03547
- Monoisotopic Mass: 243.03539970g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 395
- 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: 2.4
- Topological Polar Surface Area: 66.3?2
Experimental Properties
- PSA: 57.93
Benzonitrile, 2-(phenylsulfonyl)- Related Literature
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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4. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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