Cas no 71352-64-2 (1,3-Benzenediamine, 2-methoxy-5-(trifluoromethyl)-)
71352-64-2 structure
Product Name:1,3-Benzenediamine, 2-methoxy-5-(trifluoromethyl)-
CAS No:71352-64-2
MF:C8H9F3N2O
MW:206.165072202682
CID:1748428
PubChem ID:22506994
Update Time:2025-04-21
1,3-Benzenediamine, 2-methoxy-5-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediamine, 2-methoxy-5-(trifluoromethyl)-
- SCHEMBL689608
- 2-methoxy-5-trifluoromethyl-benzene-1,3-diamine
- QKCWYHIBYWNUCZ-UHFFFAOYSA-N
- 2-Methoxy-5-(trifluoromethyl)-1,3-benzenediamine
- DB-182362
- 2-methoxy-5-(trifluoromethyl)benzene-1,3-diamine
- 2-Methoxy-5-trifluoromethylbenzene-1,3-diamine
- 71352-64-2
-
- Inchi： 1S/C8H9F3N2O/c1-14-7-5(12)2-4(3-6(7)13)8(9,10)11/h2-3H,12-13H2,1H3
- InChI Key： QKCWYHIBYWNUCZ-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C(=C(C=1)N)OC)N)(F)F
Computed Properties
- Exact Mass: 206.06677
- Monoisotopic Mass: 206.06669740g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 186
- 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: 1.4
- Topological Polar Surface Area: 61.3?2
Experimental Properties
- PSA: 61.27
1,3-Benzenediamine, 2-methoxy-5-(trifluoromethyl)- Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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