Cas no 62276-02-2 (Benzoic acid, 4-[(2,4-dinitrophenyl)amino]-, methyl ester)
![Benzoic acid, 4-[(2,4-dinitrophenyl)amino]-, methyl ester structure](https://ossimg.kuujia.com/scimg/62500/62276-02-2x500.png)
62276-02-2 structure
Product Name:Benzoic acid, 4-[(2,4-dinitrophenyl)amino]-, methyl ester
CAS No:62276-02-2
MF:C14H11N3O6
MW:317.253643274307
CID:451209
PubChem ID:3950673
Update Time:2025-04-19
Benzoic acid, 4-[(2,4-dinitrophenyl)amino]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-[(2,4-dinitrophenyl)amino]-, methyl ester
- methyl 4-(2,4-dinitroanilino)benzoate
- Methyl 4-[(2,4-dinitrophenyl)amino]benzoate
- 62276-02-2
- AKOS000285987
- DTXSID70398183
-
- Inchi： 1S/C14H11N3O6/c1-23-14(18)9-2-4-10(5-3-9)15-12-7-6-11(16(19)20)8-13(12)17(21)22/h2-8,15H,1H3
- InChI Key： FBHWDEJQRVQXON-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CC(=CC=1)NC1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 317.06483
- Monoisotopic Mass: 317.06478508g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 452
- 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: 3.6
- Topological Polar Surface Area: 130?2
Experimental Properties
- PSA: 124.61
Benzoic acid, 4-[(2,4-dinitrophenyl)amino]-, methyl ester Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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