Cas no 50594-37-1 (Benzene, 2-ethoxy-1-nitro-4-[4-(trifluoromethyl)phenoxy]-)
50594-37-1 structure
Product Name:Benzene, 2-ethoxy-1-nitro-4-[4-(trifluoromethyl)phenoxy]-
CAS No:50594-37-1
MF:C15H12F3NO4
MW:327.255294799805
CID:364597
PubChem ID:12960211
Update Time:2025-04-19
Benzene, 2-ethoxy-1-nitro-4-[4-(trifluoromethyl)phenoxy]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-ethoxy-1-nitro-4-[4-(trifluoromethyl)phenoxy]-
- 2-ethoxy-1-nitro-4-[4-(trifluoromethyl)phenoxy]benzene
- DTXSID80514054
- SCHEMBL10363223
- NZNNBZARHMXARB-UHFFFAOYSA-N
- (3-ethoxy-4-nitrophenoxy)-4-(tri-fluoromethyl) benzene
- 50594-37-1
-
- Inchi: 1S/C15H12F3NO4/c1-2-22-14-9-12(7-8-13(14)19(20)21)23-11-5-3-10(4-6-11)15(16,17)18/h3-9H,2H2,1H3
- InChI Key: NZNNBZARHMXARB-UHFFFAOYSA-N
- SMILES: FC(C1C=CC(=CC=1)OC1=CC=C(C(=C1)OCC)[N+](=O)[O-])(F)F
Computed Properties
- Exact Mass: 327.07186
- Monoisotopic Mass: 327.07184235g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 391
- 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: 4.1
- Topological Polar Surface Area: 64.3?2
Experimental Properties
- PSA: 61.6
Benzene, 2-ethoxy-1-nitro-4-[4-(trifluoromethyl)phenoxy]- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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