Cas no 431046-00-3 (Benzenesulfonyl chloride, 2-chloro-3,5-difluoro-)
431046-00-3 structure
Product Name:Benzenesulfonyl chloride, 2-chloro-3,5-difluoro-
CAS No:431046-00-3
MF:C6H2Cl2F2O2S
MW:247.046685695648
CID:3985796
PubChem ID:17978400
Update Time:2025-04-22
Benzenesulfonyl chloride, 2-chloro-3,5-difluoro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonyl chloride, 2-chloro-3,5-difluoro-
- AKOS006333431
- SCHEMBL5704870
- 431046-00-3
- 2-Chloro-3,5-difluorobenzenesulfonyl chloride
- LEBUUXDRJSXXQV-UHFFFAOYSA-N
- 2-Chloro-3,5-difluorobenzenesulfonylchloride
-
- Inchi： 1S/C6H2Cl2F2O2S/c7-6-4(10)1-3(9)2-5(6)13(8,11)12/h1-2H
- InChI Key： LEBUUXDRJSXXQV-UHFFFAOYSA-N
- SMILES： C1(S(Cl)(=O)=O)=CC(F)=CC(F)=C1Cl
Computed Properties
- Exact Mass: 245.9120622Da
- Monoisotopic Mass: 245.9120622Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 277
- 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: 2.8
- Topological Polar Surface Area: 42.5?2
Benzenesulfonyl chloride, 2-chloro-3,5-difluoro- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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