Cas no 86132-66-3 (Benzenesulfonic acid, 2-nitro-, (2S)-oxiranylmethyl ester)
86132-66-3 structure
Product Name:Benzenesulfonic acid, 2-nitro-, (2S)-oxiranylmethyl ester
CAS No:86132-66-3
MF:C9H9NO6S
MW:259.235861539841
CID:1851302
PubChem ID:13767639
Update Time:2025-04-21
Benzenesulfonic acid, 2-nitro-, (2S)-oxiranylmethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzenesulfonic acid, 2-nitro-, (2S)-oxiranylmethyl ester
- [(2S)-oxiran-2-yl]methyl 2-nitrobenzenesulfonate
- SCHEMBL4658490
- [(2S)-Oxiran-2-yl]methyl 2-nitrobenzene-1-sulfonate
- (2S)-2-oxiranylmethyl 2-nitrobenzenesulfonate
- 86132-66-3
- DTXSID90548921
- VQUHIYRJBXIKPG-ZETCQYMHSA-N
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- Inchi： 1S/C9H9NO6S/c11-10(12)8-3-1-2-4-9(8)17(13,14)16-6-7-5-15-7/h1-4,7H,5-6H2/t7-/m0/s1
- InChI Key： VQUHIYRJBXIKPG-ZETCQYMHSA-N
- SMILES： S(C1C=CC=CC=1[N+](=O)[O-])(=O)(=O)OC[C@@H]1CO1
Computed Properties
- Exact Mass: 259.01505818Da
- Monoisotopic Mass: 259.01505818Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 383
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 110?2
Benzenesulfonic acid, 2-nitro-, (2S)-oxiranylmethyl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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