Cas no 62421-59-4 (2-Propanol, 1-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-)
![2-Propanol, 1-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]- structure](https://ossimg.kuujia.com/scimg/62500/62421-59-4x500.png)
62421-59-4 structure
Product Name:2-Propanol, 1-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-
CAS No:62421-59-4
MF:C10H10F3N3O5
MW:309.198712825775
CID:445369
PubChem ID:60483499
Update Time:2025-04-19
2-Propanol, 1-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanol, 1-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-
- 1-[2,6-dinitro-4-(trifluoromethyl)anilino]propan-2-ol
- 62421-59-4
- AKOS008718027
- DTXSID80733900
-
- Inchi： 1S/C10H10F3N3O5/c1-5(17)4-14-9-7(15(18)19)2-6(10(11,12)13)3-8(9)16(20)21/h2-3,5,14,17H,4H2,1H3
- InChI Key： VHXRXTSSHQDSKA-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C(=C(C=1)[N+](=O)[O-])NCC(C)O)[N+](=O)[O-])(F)F
Computed Properties
- Exact Mass: 309.0573
- Monoisotopic Mass: 309.05725491g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 371
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 124?2
Experimental Properties
- PSA: 118.54
2-Propanol, 1-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]- Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
62421-59-4 (2-Propanol, 1-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-) Related Products
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