Cas no 651235-61-9 (Benzene, 1-bromo-3-[(4-methylphenyl)sulfonyl]-)
651235-61-9 structure
Product Name:Benzene, 1-bromo-3-[(4-methylphenyl)sulfonyl]-
CAS No:651235-61-9
MF:C13H11BrO2S
MW:311.194241762161
CID:406800
PubChem ID:71377043
Update Time:2025-04-19
Benzene, 1-bromo-3-[(4-methylphenyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-bromo-3-[(4-methylphenyl)sulfonyl]-
- 1-bromo-3-(4-methylphenyl)sulfonylbenzene
- 1-Bromo-3-(4-methylbenzene-1-sulfonyl)benzene
- 651235-61-9
- DTXSID40799704
-
- Inchi: 1S/C13H11BrO2S/c1-10-5-7-12(8-6-10)17(15,16)13-4-2-3-11(14)9-13/h2-9H,1H3
- InChI Key: NNTDYSMMDBQIQF-UHFFFAOYSA-N
- SMILES: BrC1=CC=CC(=C1)S(C1C=CC(C)=CC=1)(=O)=O
Computed Properties
- Exact Mass: 309.96633
- Monoisotopic Mass: 309.96631g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 339
- 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: 42.5?2
Experimental Properties
- PSA: 34.14
Benzene, 1-bromo-3-[(4-methylphenyl)sulfonyl]- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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