Cas no 821777-29-1 (Ethanol, 2-[(cyclopropylmethyl)[4-nitro-3-(trifluoromethyl)phenyl]amino]-)
![Ethanol, 2-[(cyclopropylmethyl)[4-nitro-3-(trifluoromethyl)phenyl]amino]- structure](https://ossimg.kuujia.com/scimg/822000/821777-29-1x500.png)
821777-29-1 structure
Product Name:Ethanol, 2-[(cyclopropylmethyl)[4-nitro-3-(trifluoromethyl)phenyl]amino]-
CAS No:821777-29-1
MF:C13H15F3N2O3
MW:304.265013933182
CID:697247
PubChem ID:11231969
Update Time:2025-04-19
Ethanol, 2-[(cyclopropylmethyl)[4-nitro-3-(trifluoromethyl)phenyl]amino]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanol, 2-[(cyclopropylmethyl)[4-nitro-3-(trifluoromethyl)phenyl]amino]-
- 2-[N-(cyclopropylmethyl)-4-nitro-3-(trifluoromethyl)anilino]ethanol
- SCHEMBL3046313
- 2-{(Cyclopropylmethyl)[4-nitro-3-(trifluoromethyl)phenyl]amino}ethanol
- 821777-29-1
- DTXSID00459594
-
- Inchi： 1S/C13H15F3N2O3/c14-13(15,16)11-7-10(3-4-12(11)18(20)21)17(5-6-19)8-9-1-2-9/h3-4,7,9,19H,1-2,5-6,8H2
- InChI Key： QBJFPKOVBFQYIU-UHFFFAOYSA-N
- SMILES： FC(C1=C(C=CC(=C1)N(CCO)CC1CC1)[N+](=O)[O-])(F)F
Computed Properties
- Exact Mass: 304.10347683g/mol
- Monoisotopic Mass: 304.10347683g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 369
- 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: 2.8
- Topological Polar Surface Area: 69.3?2
Ethanol, 2-[(cyclopropylmethyl)[4-nitro-3-(trifluoromethyl)phenyl]amino]- 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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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