Cas no 1805441-94-4 (2-Amino-3,6-bis(trifluoromethyl)benzoic acid)
1805441-94-4 structure
Product Name:2-Amino-3,6-bis(trifluoromethyl)benzoic acid
CAS No:1805441-94-4
MF:C9H5F6NO2
MW:273.131923437119
CID:4982813
Update Time:2023-08-24
2-Amino-3,6-bis(trifluoromethyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- 2-Amino-3,6-bis(trifluoromethyl)benzoic acid
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- Inchi： 1S/C9H5F6NO2/c10-8(11,12)3-1-2-4(9(13,14)15)6(16)5(3)7(17)18/h1-2H,16H2,(H,17,18)
- InChI Key： VRZTZMISJMSECJ-UHFFFAOYSA-N
- SMILES： FC(C1C=CC(C(F)(F)F)=C(C=1C(=O)O)N)(F)F
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 326
- XLogP3: 3.1
- Topological Polar Surface Area: 63.3
2-Amino-3,6-bis(trifluoromethyl)benzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013009113-1g |
2-Amino-3,6-bis(trifluoromethyl)benzoic acid |
1805441-94-4 | 97% | 1g |
1,579.40 USD | 2021-06-25 |
2-Amino-3,6-bis(trifluoromethyl)benzoic acid Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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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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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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