Cas no 147494-42-6 (Methyl 2-amino-4,6-bis(trifluoromethyl)benzoate)
147494-42-6 structure
Product Name:Methyl 2-amino-4,6-bis(trifluoromethyl)benzoate
CAS No:147494-42-6
MF:C10H7F6NO2
MW:287.158503770828
CID:4982785
Update Time:2023-08-24
Methyl 2-amino-4,6-bis(trifluoromethyl)benzoate Chemical and Physical Properties
Names and Identifiers
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- Methyl 2-amino-4,6-bis(trifluoromethyl)benzoate
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- Inchi： 1S/C10H7F6NO2/c1-19-8(18)7-5(10(14,15)16)2-4(3-6(7)17)9(11,12)13/h2-3H,17H2,1H3
- InChI Key： PLLPIKFMVZIWBQ-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C(F)(F)F)C=C(C=1C(=O)OC)N)(F)F
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 340
- XLogP3: 3.4
- Topological Polar Surface Area: 52.3
Methyl 2-amino-4,6-bis(trifluoromethyl)benzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013009121-1g |
Methyl 2-amino-4,6-bis(trifluoromethyl)benzoate |
147494-42-6 | 97% | 1g |
1,504.90 USD | 2021-06-25 |
Methyl 2-amino-4,6-bis(trifluoromethyl)benzoate Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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