Cas no 88345-39-5 (Benzoic acid, 2-amino-4-(aminosulfonyl)-3-chloro-)
88345-39-5 structure
Product Name:Benzoic acid, 2-amino-4-(aminosulfonyl)-3-chloro-
CAS No:88345-39-5
MF:C7H7ClN2O4S
MW:250.659479379654
CID:636292
PubChem ID:71408928
Update Time:2025-04-19
Benzoic acid, 2-amino-4-(aminosulfonyl)-3-chloro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-amino-4-(aminosulfonyl)-3-chloro-
- 2-amino-3-chloro-4-sulfamoylbenzoic acid
- DTXSID20828703
- 88345-39-5
-
- Inchi： 1S/C7H7ClN2O4S/c8-5-4(15(10,13)14)2-1-3(6(5)9)7(11)12/h1-2H,9H2,(H,11,12)(H2,10,13,14)
- InChI Key： PXBXUBJHYHIRFZ-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C(=O)O)C=CC=1S(N)(=O)=O)N
Computed Properties
- Exact Mass: 249.9815056g/mol
- Monoisotopic Mass: 249.9815056g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 353
- 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: 0.5
- Topological Polar Surface Area: 132?2
Benzoic acid, 2-amino-4-(aminosulfonyl)-3-chloro- Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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