Cas no 1805612-71-8 (4-Amino-2,5-bis(trifluoromethyl)benzoic acid)
1805612-71-8 structure
Product Name:4-Amino-2,5-bis(trifluoromethyl)benzoic acid
CAS No:1805612-71-8
MF:C9H5F6NO2
MW:273.131923437119
CID:4982817
Update Time:2023-08-24
4-Amino-2,5-bis(trifluoromethyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-Amino-2,5-bis(trifluoromethyl)benzoic acid
-
- Inchi： 1S/C9H5F6NO2/c10-8(11,12)4-2-6(16)5(9(13,14)15)1-3(4)7(17)18/h1-2H,16H2,(H,17,18)
- InChI Key： LQGBNYJCCDSIKB-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C(C(F)(F)F)=CC=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: 2.5
- Topological Polar Surface Area: 63.3
4-Amino-2,5-bis(trifluoromethyl)benzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013009116-1g |
4-Amino-2,5-bis(trifluoromethyl)benzoic acid |
1805612-71-8 | 97% | 1g |
1,475.10 USD | 2021-06-25 |
4-Amino-2,5-bis(trifluoromethyl)benzoic acid Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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