Cas no 116621-19-3 (Benzoic acid, 2-chloro-6-methyl-4-nitro-, methyl ester)
116621-19-3 structure
Product Name:Benzoic acid, 2-chloro-6-methyl-4-nitro-, methyl ester
CAS No:116621-19-3
MF:C9H8ClNO4
MW:229.617121696472
CID:1206171
PubChem ID:14182083
Update Time:2025-04-20
Benzoic acid, 2-chloro-6-methyl-4-nitro-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-chloro-6-methyl-4-nitro-, methyl ester
- methyl 2-chloro-6-methyl-4-nitrobenzoate
- JROGQAPWAHKCSF-UHFFFAOYSA-N
- DTXSID40557104
- SCHEMBL15822385
- DB-116715
- 116621-19-3
-
- Inchi： 1S/C9H8ClNO4/c1-5-3-6(11(13)14)4-7(10)8(5)9(12)15-2/h3-4H,1-2H3
- InChI Key： JROGQAPWAHKCSF-UHFFFAOYSA-N
- SMILES： ClC1=CC(=CC(C)=C1C(=O)OC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 229.01424
- Monoisotopic Mass: 229.0141854g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 265
- 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: 2.6
- Topological Polar Surface Area: 72.1?2
Experimental Properties
- PSA: 69.44
Benzoic acid, 2-chloro-6-methyl-4-nitro-, methyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A015010722-250mg |
Methyl 2-chloro-6-methyl-4-nitrobenzoate |
116621-19-3 | 97% | 250mg |
$470.40 | 2023-09-04 | |
| Alichem | A015010722-500mg |
Methyl 2-chloro-6-methyl-4-nitrobenzoate |
116621-19-3 | 97% | 500mg |
$798.70 | 2023-09-04 | |
| Alichem | A015010722-1g |
Methyl 2-chloro-6-methyl-4-nitrobenzoate |
116621-19-3 | 97% | 1g |
$1519.80 | 2023-09-04 |
Benzoic acid, 2-chloro-6-methyl-4-nitro-, methyl ester Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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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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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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