Cas no 59514-71-5 (3-Phenanthrenesulfonyl chloride, 10-benzoyl-)
59514-71-5 structure
Product Name:3-Phenanthrenesulfonyl chloride, 10-benzoyl-
CAS No:59514-71-5
MF:C21H13ClO3S
MW:380.844123601913
CID:338424
PubChem ID:71442893
Update Time:2025-04-19
3-Phenanthrenesulfonyl chloride, 10-benzoyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Phenanthrenesulfonyl chloride, 10-benzoyl-
- 10-benzoylphenanthrene-3-sulfonyl chloride
- DTXSID70851748
- 59514-71-5
-
- Inchi： 1S/C21H13ClO3S/c22-26(24,25)16-10-11-18-19(13-16)17-9-5-4-8-15(17)12-20(18)21(23)14-6-2-1-3-7-14/h1-13H
- InChI Key： KURWPYLSPAYLEP-UHFFFAOYSA-N
- SMILES： ClS(C1C=CC2C(C(C3C=CC=CC=3)=O)=CC3C=CC=CC=3C=2C=1)(=O)=O
Computed Properties
- Exact Mass: 380.02749
- Monoisotopic Mass: 380.0273931g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 3
- Complexity: 620
- 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: 5.8
- Topological Polar Surface Area: 59.6?2
Experimental Properties
- PSA: 51.21
3-Phenanthrenesulfonyl chloride, 10-benzoyl- Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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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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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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