Cas no 873056-35-0 (2-Tert-butyl-5-nitrobenzene-1-sulfonyl chloride)
873056-35-0 structure
Product Name:2-Tert-butyl-5-nitrobenzene-1-sulfonyl chloride
CAS No:873056-35-0
MF:C10H12ClNO4S
MW:277.724580764771
CID:2141283
Update Time:2023-08-04
2-Tert-butyl-5-nitrobenzene-1-sulfonyl chloride Chemical and Physical Properties
Names and Identifiers
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- 2-tert-butyl-5-nitrobenzene-1-sulfonyl chloride
- SIDZRDAAQSNMPH-UHFFFAOYSA-N
- Benzenesulfonyl chloride, 2-(1,1-dimethylethyl)-5-nitro-
- 2-Tert-butyl-5-nitrobenzene-1-sulfonyl chloride
-
- Inchi： 1S/C10H12ClNO4S/c1-10(2,3)8-5-4-7(12(13)14)6-9(8)17(11,15)16/h4-6H,1-3H3
- InChI Key： SIDZRDAAQSNMPH-UHFFFAOYSA-N
- SMILES： ClS(C1C=C(C=CC=1C(C)(C)C)[N+](=O)[O-])(=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 390
- Topological Polar Surface Area: 88.3
2-Tert-butyl-5-nitrobenzene-1-sulfonyl chloride Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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