Cas no 91813-07-9 (Benzenesulfonic acid, 4-amino-, 4-methylphenyl ester)
91813-07-9 structure
Product Name:Benzenesulfonic acid, 4-amino-, 4-methylphenyl ester
CAS No:91813-07-9
MF:C13H13NO3S
MW:263.312222242355
CID:748031
PubChem ID:20558437
Update Time:2025-04-19
Benzenesulfonic acid, 4-amino-, 4-methylphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid, 4-amino-, 4-methylphenyl ester
- (4-methylphenyl) 4-aminobenzenesulfonate
- LPCGQVZJMGBSSD-UHFFFAOYSA-N
- p-tolyl 4-aminobenzenesulfonate
- SCHEMBL2236927
- DTXSID00608681
- 91813-07-9
- 4-Methylphenyl 4-aminobenzene-1-sulfonate
-
- Inchi： 1S/C13H13NO3S/c1-10-2-6-12(7-3-10)17-18(15,16)13-8-4-11(14)5-9-13/h2-9H,14H2,1H3
- InChI Key： LPCGQVZJMGBSSD-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)N)(=O)(=O)OC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 263.06161445g/mol
- Monoisotopic Mass: 263.06161445g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 347
- 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: 2.7
- Topological Polar Surface Area: 77.8?2
Benzenesulfonic acid, 4-amino-, 4-methylphenyl ester Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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