Cas no 645821-05-2 (Naphthalene, 2-bromo-7-[(4-methylphenyl)sulfonyl]-)
![Naphthalene, 2-bromo-7-[(4-methylphenyl)sulfonyl]- structure](https://ossimg.kuujia.com/scimg/646000/645821-05-2x500.png)
645821-05-2 structure
Product Name:Naphthalene, 2-bromo-7-[(4-methylphenyl)sulfonyl]-
CAS No:645821-05-2
MF:C17H13BrO2S
MW:361.252922773361
CID:422678
PubChem ID:12113632
Update Time:2025-04-19
Naphthalene, 2-bromo-7-[(4-methylphenyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Naphthalene, 2-bromo-7-[(4-methylphenyl)sulfonyl]-
- 2-bromo-7-(4-methylphenyl)sulfonylnaphthalene
- DTXSID10477800
- 645821-05-2
-
- Inchi： 1S/C17H13BrO2S/c1-12-2-7-16(8-3-12)21(19,20)17-9-5-13-4-6-15(18)10-14(13)11-17/h2-11H,1H3
- InChI Key： ZOLLZADSPDSFHI-UHFFFAOYSA-N
- SMILES： BrC1C=CC2C=CC(=CC=2C=1)S(C1C=CC(C)=CC=1)(=O)=O
Computed Properties
- Exact Mass: 359.98199
- Monoisotopic Mass: 359.98196g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 448
- 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
- Topological Polar Surface Area: 42.5?2
Experimental Properties
- PSA: 34.14
Naphthalene, 2-bromo-7-[(4-methylphenyl)sulfonyl]- Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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