Cas no 17332-58-0 (Benzoic acid,2-[[4-(methoxycarbonyl)phenyl]amino]-)
17332-58-0 structure
Product Name:Benzoic acid,2-[[4-(methoxycarbonyl)phenyl]amino]-
CAS No:17332-58-0
MF:C15H13NO4
MW:271.268024206162
CID:214280
PubChem ID:205083
Update Time:2025-04-19
Benzoic acid,2-[[4-(methoxycarbonyl)phenyl]amino]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-[[4-(methoxycarbonyl)phenyl]amino]-
- 2-(4-methoxycarbonylanilino)benzoic acid
- 17332-58-0
- Benzoic acid, 2-((4-(methoxycarbonyl)phenyl)amino)-
- DTXSID30169593
- BRN 2868540
- 4'-Methyl 2,4'-iminodibenzoate
- Oprea1_342323
- ITF-203
- Benzoic acid, 2,4'-iminodi-, 4'-methyl ester
-
- Inchi: 1S/C15H13NO4/c1-20-15(19)10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14(17)18/h2-9,16H,1H3,(H,17,18)
- InChI Key: AMWRZEUIGAKQDL-UHFFFAOYSA-N
- SMILES: O(C)C(C1C=CC(=CC=1)NC1C=CC=CC=1C(=O)O)=O
Computed Properties
- Exact Mass: 271.08449
- Monoisotopic Mass: 271.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 350
- 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: 75.6?2
Experimental Properties
- PSA: 75.63
Benzoic acid,2-[[4-(methoxycarbonyl)phenyl]amino]- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
17332-58-0 (Benzoic acid,2-[[4-(methoxycarbonyl)phenyl]amino]-) Related Products
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