Cas no 61365-96-6 (Benzenesulfonyl chloride, 4-(acetylamino)-3,5-bis(trifluoromethyl)-)
61365-96-6 structure
Product Name:Benzenesulfonyl chloride, 4-(acetylamino)-3,5-bis(trifluoromethyl)-
CAS No:61365-96-6
MF:C10H6ClF6NO3S
MW:369.667961597443
CID:482169
PubChem ID:21482730
Update Time:2025-04-19
Benzenesulfonyl chloride, 4-(acetylamino)-3,5-bis(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonyl chloride, 4-(acetylamino)-3,5-bis(trifluoromethyl)-
- 4-acetamido-3,5-bis(trifluoromethyl)benzenesulfonyl chloride
- ONGDSAAXRLHJJE-UHFFFAOYSA-N
- 61365-96-6
- DTXSID00614505
- 4-Acetamido-3,5-bis(trifluoromethyl)benzene-1-sulfonyl chloride
- SCHEMBL11685348
-
- Inchi： 1S/C10H6ClF6NO3S/c1-4(19)18-8-6(9(12,13)14)2-5(22(11,20)21)3-7(8)10(15,16)17/h2-3H,1H3,(H,18,19)
- InChI Key： ONGDSAAXRLHJJE-UHFFFAOYSA-N
- SMILES： ClS(C1C=C(C(F)(F)F)C(=C(C(F)(F)F)C=1)NC(C)=O)(=O)=O
Computed Properties
- Exact Mass: 368.96618
- Monoisotopic Mass: 368.9661109g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 502
- 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: 2.9
- Topological Polar Surface Area: 71.6?2
Experimental Properties
- PSA: 63.24
Benzenesulfonyl chloride, 4-(acetylamino)-3,5-bis(trifluoromethyl)- Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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