Cas no 62276-03-3 (Benzoic acid, 4-[(2,4-dinitrophenyl)amino]-, propyl ester)
![Benzoic acid, 4-[(2,4-dinitrophenyl)amino]-, propyl ester structure](https://ossimg.kuujia.com/scimg/62500/62276-03-3x500.png)
62276-03-3 structure
Product Name:Benzoic acid, 4-[(2,4-dinitrophenyl)amino]-, propyl ester
CAS No:62276-03-3
MF:C16H15N3O6
MW:345.306803941727
CID:451208
PubChem ID:71388032
Update Time:2025-04-19
Benzoic acid, 4-[(2,4-dinitrophenyl)amino]-, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-[(2,4-dinitrophenyl)amino]-, propyl ester
- propyl 4-(2,4-dinitroanilino)benzoate
- 62276-03-3
- DTXSID90810110
-
- Inchi： 1S/C16H15N3O6/c1-2-9-25-16(20)11-3-5-12(6-4-11)17-14-8-7-13(18(21)22)10-15(14)19(23)24/h3-8,10,17H,2,9H2,1H3
- InChI Key： UVVVWXCVXMWWKT-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)NC1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])=O)CCC
Computed Properties
- Exact Mass: 345.09615
- Monoisotopic Mass: 345.09608521g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 25
- Rotatable Bond Count: 6
- Complexity: 481
- 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: 4.4
- Topological Polar Surface Area: 130?2
Experimental Properties
- PSA: 124.61
Benzoic acid, 4-[(2,4-dinitrophenyl)amino]-, propyl ester Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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