Cas no 123973-32-0 (Benzenamine, 2,4,6-trifluoro-3-(trifluoromethyl)-)
123973-32-0 structure
Product Name:Benzenamine, 2,4,6-trifluoro-3-(trifluoromethyl)-
CAS No:123973-32-0
MF:C7H3F6N
MW:215.095842599869
CID:2760227
PubChem ID:11816738
Update Time:2025-04-21
Benzenamine, 2,4,6-trifluoro-3-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- DTXSID10473529
- 123973-32-0
- SCHEMBL4634586
- Benzenamine, 2,4,6-trifluoro-3-(trifluoromethyl)-
- PORKVTMJVWFDFI-UHFFFAOYSA-N
-
- Inchi： 1S/C7H3F6N/c8-2-1-3(9)6(14)5(10)4(2)7(11,12)13/h1H,14H2
- InChI Key： PORKVTMJVWFDFI-UHFFFAOYSA-N
- SMILES： FC1C(=C(C=C(C=1C(F)(F)F)F)F)N
Computed Properties
- Exact Mass: 215.01696807Da
- Monoisotopic Mass: 215.01696807Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 205
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 26?2
Benzenamine, 2,4,6-trifluoro-3-(trifluoromethyl)- 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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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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