Cas no 2581-45-5 (1,3-Benzenedisulfonicacid, 1,3-diphenyl ester)
2581-45-5 structure
Product Name:1,3-Benzenedisulfonicacid, 1,3-diphenyl ester
CAS No:2581-45-5
MF:C18H14O6S2
MW:390.430162906647
CID:262608
PubChem ID:257662
Update Time:2025-04-19
1,3-Benzenedisulfonicacid, 1,3-diphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedisulfonicacid, 1,3-diphenyl ester
- diphenyl benzene-1,3-disulfonate
- AC1L5X9E
- AC1Q6Y0F
- AR-1H8358
- Benzene-1,3-disulfonic acid diphenyl ester
- CTK4F6508
- diphenyl 1,3-benzene disulfonate
- NSC86045
- AKOS000727615
- 2581-45-5
- diphenyl 1,3-benzenedisulfonate
- NSC-86045
- NSC 86045
- DTXSID60292843
-
- Inchi： 1S/C18H14O6S2/c19-25(20,23-15-8-3-1-4-9-15)17-12-7-13-18(14-17)26(21,22)24-16-10-5-2-6-11-16/h1-14H
- InChI Key： NRFDGBFJANBYCU-UHFFFAOYSA-N
- SMILES： S(C1C=CC=C(C=1)S(=O)(=O)OC1C=CC=CC=1)(=O)(=O)OC1C=CC=CC=1
Computed Properties
- Exact Mass: 390.02322
- Monoisotopic Mass: 390.02318051g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 6
- Complexity: 578
- 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: 4.2
- Topological Polar Surface Area: 104?2
Experimental Properties
- PSA: 86.74
- LogP: 5.38360
1,3-Benzenedisulfonicacid, 1,3-diphenyl ester Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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M. A. Piechowiak,A. Videcoq,R. Ferrando,D. Bochicchio,C. Pagnoux,F. Rossignol Phys. Chem. Chem. Phys., 2012,14, 1431-1439
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