Cas no 1485-91-2 (Benzenesulfonic acid,2,4-dinitro-, methyl ester)
1485-91-2 structure
Product Name:Benzenesulfonic acid,2,4-dinitro-, methyl ester
CAS No:1485-91-2
MF:C7H6N2O7S
MW:262.196740627289
CID:231433
PubChem ID:284570
Update Time:2025-04-19
Benzenesulfonic acid,2,4-dinitro-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,2,4-dinitro-, methyl ester
- methyl 2,4-dinitrobenzenesulfonate
- 2,4-dinitro-benzenesulfonic acid methyl ester
- 2,4-Dinitrobenzolsulfonsaeuremethylester
- 2,4-Dinitro-benzolsulfonsaeure-methylester
- 2.4-Dinitro-benzolsulfonsaeuremethylester
- 2.4-Dinitro-benzolsulfonsaeure-methylester
- 2.4-Dinitro-benzol-sulfonsaeure-methylester
- AC1L615O
- AC1Q1YZA
- AG-K-79614
- AR-1J4548
- CTK4C5860
- NSC140551
- DTXSID80301022
- NSC-140551
- SCHEMBL11817089
- 1485-91-2
-
- Inchi: 1S/C7H6N2O7S/c1-16-17(14,15)7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3
- InChI Key: PHHGZNIUDPMBAW-UHFFFAOYSA-N
- SMILES: S(C1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])(=O)(=O)OC
Computed Properties
- Exact Mass: 261.98958
- Monoisotopic Mass: 261.98957171g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 403
- 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: 1
- Topological Polar Surface Area: 143?2
Experimental Properties
- PSA: 129.65
- LogP: 2.96530
Benzenesulfonic acid,2,4-dinitro-, methyl ester Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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