Cas no 1804876-59-2 (Methyl 5-amino-2,3-bis(trifluoromethyl)benzoate)
1804876-59-2 structure
Product Name:Methyl 5-amino-2,3-bis(trifluoromethyl)benzoate
CAS No:1804876-59-2
MF:C10H7F6NO2
MW:287.158503770828
CID:4982917
Update Time:2023-08-24
Methyl 5-amino-2,3-bis(trifluoromethyl)benzoate Chemical and Physical Properties
Names and Identifiers
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- Methyl 5-amino-2,3-bis(trifluoromethyl)benzoate
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- Inchi： 1S/C10H7F6NO2/c1-19-8(18)5-2-4(17)3-6(9(11,12)13)7(5)10(14,15)16/h2-3H,17H2,1H3
- InChI Key： CNDSZXUUUKJRRN-UHFFFAOYSA-N
- SMILES： FC(C1C(C(=O)OC)=CC(=CC=1C(F)(F)F)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: 2.9
- Topological Polar Surface Area: 52.3
Methyl 5-amino-2,3-bis(trifluoromethyl)benzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013008976-1g |
Methyl 5-amino-2,3-bis(trifluoromethyl)benzoate |
1804876-59-2 | 97% | 1g |
1,519.80 USD | 2021-06-25 |
Methyl 5-amino-2,3-bis(trifluoromethyl)benzoate Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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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
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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