Cas no 27696-27-1 (Benzoic acid,2-[(3-sulfophenyl)amino]-)
![Benzoic acid,2-[(3-sulfophenyl)amino]- structure](https://ossimg.kuujia.com/scimg/28000/27696-27-1x500.png)
27696-27-1 structure
Product Name:Benzoic acid,2-[(3-sulfophenyl)amino]-
CAS No:27696-27-1
MF:C13H11NO5S
MW:293.295142412186
CID:262640
PubChem ID:214104
Update Time:2025-04-19
Benzoic acid,2-[(3-sulfophenyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-[(3-sulfophenyl)amino]-
- 2-(3-sulfoanilino)benzoic acid
- 3-(2-Carboxyanilino)benzenesulfonic acid
- 27696-27-1
- 0-14-00-00691 (Beilstein Handbook Reference)
- Anthranilic acid, N-m-sulfophenyl-
- 2-[(3-sulfophenyl)amino]benzoic acid
- DTXSID20182059
- Benzenesulfonic acid, 3-(2-carboxyanilino)-
- BRN 3401974
-
- Inchi： 1S/C13H11NO5S/c15-13(16)11-6-1-2-7-12(11)14-9-4-3-5-10(8-9)20(17,18)19/h1-8,14H,(H,15,16)(H,17,18,19)
- InChI Key： FNAKUEGSLRUPTF-UHFFFAOYSA-N
- SMILES： S(C1C=CC=C(C=1)NC1C=CC=CC=1C(=O)O)(=O)(=O)O
Computed Properties
- Exact Mass: 293.03583
- Monoisotopic Mass: 293.03579362g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 444
- 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: 3.7
- Topological Polar Surface Area: 112?2
Experimental Properties
- PSA: 103.7
Benzoic acid,2-[(3-sulfophenyl)amino]- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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