Cas no 1805131-54-7 (Methyl 2,5-bis(trifluoromethyl)-4-nitrobenzoate)
1805131-54-7 structure
Product Name:Methyl 2,5-bis(trifluoromethyl)-4-nitrobenzoate
CAS No:1805131-54-7
MF:C10H5F6NO4
MW:317.141423940659
CID:4949873
Update Time:2023-08-22
Methyl 2,5-bis(trifluoromethyl)-4-nitrobenzoate Chemical and Physical Properties
Names and Identifiers
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- Methyl 2,5-bis(trifluoromethyl)-4-nitrobenzoate
-
- Inchi： 1S/C10H5F6NO4/c1-21-8(18)4-2-6(10(14,15)16)7(17(19)20)3-5(4)9(11,12)13/h2-3H,1H3
- InChI Key： WWRKKYHOLJOXLR-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C(C(F)(F)F)=CC=1C(=O)OC)[N+](=O)[O-])(F)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 415
- XLogP3: 3.4
- Topological Polar Surface Area: 72.1
Methyl 2,5-bis(trifluoromethyl)-4-nitrobenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A015015008-1g |
Methyl 2,5-bis(trifluoromethyl)-4-nitrobenzoate |
1805131-54-7 | 97% | 1g |
1,445.30 USD | 2021-06-18 |
Methyl 2,5-bis(trifluoromethyl)-4-nitrobenzoate Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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