Cas no 55735-65-4 (Benzenesulfonic acid, 3-nitro-, phenylmethyl ester)
55735-65-4 structure
Product Name:Benzenesulfonic acid, 3-nitro-, phenylmethyl ester
CAS No:55735-65-4
MF:C13H11NO5S
MW:293.295142412186
CID:351025
PubChem ID:13691870
Update Time:2025-04-19
Benzenesulfonic acid, 3-nitro-, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid, 3-nitro-, phenylmethyl ester
- benzyl 3-nitrobenzenesulfonate
- Benzyl 3-nitrobenzene-1-sulfonate
- DTXSID80546830
- 55735-65-4
-
- Inchi： 1S/C13H11NO5S/c15-14(16)12-7-4-8-13(9-12)20(17,18)19-10-11-5-2-1-3-6-11/h1-9H,10H2
- InChI Key： RCKIDLRLVFPNBK-UHFFFAOYSA-N
- SMILES： S(C1C=CC=C(C=1)[N+](=O)[O-])(=O)(=O)OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 293.03583
- Monoisotopic Mass: 293.03579362g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 419
- 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: 2.5
- Topological Polar Surface Area: 97.6?2
Experimental Properties
- PSA: 86.51
Benzenesulfonic acid, 3-nitro-, phenylmethyl ester Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
55735-65-4 (Benzenesulfonic acid, 3-nitro-, phenylmethyl ester) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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