Cas no 31212-28-9 (Benzenesulfonic acid,nitro-)
Benzenesulfonic acid,nitro- structure
Product Name:Benzenesulfonic acid,nitro-
Benzenesulfonic acid,nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,nitro-
- Nitrobenzenesulfonicacid
- 2-Nitrobenzenesulfonic acid
- o-Nitrobenzenesulfonic acid
- Benzenesulfonic acid, nitro-
- UN2305
- 80-82-0
- 2-nitrobenzene-1-sulfonic acid
- EN300-3510293
- NS00005172
- Nitrobenzenesulphonic acid
- EINECS 201-311-6
- N0139
- FT-0656219
- Nitrobenzolsulfosaure
- CCRIS 3130
- 2-Nitrobenzenesulphonic acid
- AKOS015917547
- 31212-28-9
- Nitrobenzenesulfonic acid [UN2305] [Corrosive]
- 2-Nitrobenzenesulfonic acid #
- AM101297
- DTXSID601033533
- BS-22943
- Nitrobenzenesulfonic acid
- Q63408758
- A820757
- FT-0631360
- Benzenesulfonic acid, 2-nitro-
- SCHEMBL63933
- A839983
- 2-nitro-benzenesulfonic acid
-
- Inchi： 1S/C6H5NO5S/c8-7(9)5-3-1-2-4-6(5)13(10,11)12/h1-4H,(H,10,11,12)
- InChI Key： HWTDMFJYBAURQR-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1[N+](=O)[O-])(=O)(=O)O
Computed Properties
- Exact Mass: 202.98885
- Monoisotopic Mass: 202.988843
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 287
- 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: 0.5
- Topological Polar Surface Area: 109
Experimental Properties
- PSA: 97.51
Benzenesulfonic acid,nitro- Related Literature
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Wei He,Shohei Tashiro,Mitsuhiko Shionoya Chem. Sci. 2022 13 8752
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Mingyu Yang,Xingyu Jiang,Zhang-Jie Shi Org. Chem. Front. 2015 2 51
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Yang Chen,Bin Yi,Zhi Wang,Jianteng Gu,Yongshuai Li,Jian Cui,Kaizhi Lu Mol. BioSyst. 2014 10 759
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Yang Chen,Bin Yi,Zhi Wang,Jianteng Gu,Yongshuai Li,Jian Cui,Kaizhi Lu Mol. BioSyst. 2014 10 759
-
Yang Chen,Bin Yi,Zhi Wang,Jianteng Gu,Yongshuai Li,Jian Cui,Kaizhi Lu Mol. BioSyst. 2014 10 759
31212-28-9 (Benzenesulfonic acid,nitro-) Related Products
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