Cas no 116448-91-0 (Benzoic acid,5-amino-2-methyl-4-nitro-, methyl ester)
116448-91-0 structure
Product Name:Benzoic acid,5-amino-2-methyl-4-nitro-, methyl ester
CAS No:116448-91-0
MF:C9H10N2O4
MW:210.186702251434
CID:131209
PubChem ID:45089359
Update Time:2025-04-19
Benzoic acid,5-amino-2-methyl-4-nitro-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,5-amino-2-methyl-4-nitro-, methyl ester
- 5-amino-2-methyl-4-nitroBenzoic acid methyl ester
- methyl 5-amino-2-methyl-4-nitrobenzoate
- CTK8G6299
- SureCN2555156
- Benzoic acid, 5-amino-2-methyl-4-nitro-, methyl ester (9CI)
- DTXSID50666453
- 116448-91-0
- FT-0715120
- CIOLBXFIRSNSRA-UHFFFAOYSA-N
- G11292
- SB79234
- SCHEMBL2555156
-
- Inchi: 1S/C9H10N2O4/c1-5-3-8(11(13)14)7(10)4-6(5)9(12)15-2/h3-4H,10H2,1-2H3
- InChI Key: CIOLBXFIRSNSRA-UHFFFAOYSA-N
- SMILES: O(C)C(C1C=C(C(=CC=1C)[N+](=O)[O-])N)=O
Computed Properties
- Exact Mass: 210.06400
- Monoisotopic Mass: 210.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 263
- 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
- Topological Polar Surface Area: 98.1A^2
- XLogP3: 1.8
Experimental Properties
- PSA: 98.14000
- LogP: 2.37640
Benzoic acid,5-amino-2-methyl-4-nitro-, methyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1604295-250mg |
Methyl 5-amino-2-methyl-4-nitrobenzoate |
116448-91-0 | 98% | 250mg |
¥2811.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1604295-1g |
Methyl 5-amino-2-methyl-4-nitrobenzoate |
116448-91-0 | 98% | 1g |
¥7129.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1604295-2.5g |
Methyl 5-amino-2-methyl-4-nitrobenzoate |
116448-91-0 | 98% | 2.5g |
¥12412.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1604295-5g |
Methyl 5-amino-2-methyl-4-nitrobenzoate |
116448-91-0 | 98% | 5g |
¥22755.00 | 2024-08-09 |
Benzoic acid,5-amino-2-methyl-4-nitro-, methyl ester Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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