Cas no 4097-58-9 (Phenol,4-cyclohexyl-2,6-dinitro-)
4097-58-9 structure
Product Name:Phenol,4-cyclohexyl-2,6-dinitro-
CAS No:4097-58-9
MF:C12H14N2O5
MW:266.249963283539
CID:335106
PubChem ID:20044
Update Time:2025-04-19
Phenol,4-cyclohexyl-2,6-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,4-cyclohexyl-2,6-dinitro-
- 4-CYCLOHEXYL-2,6-DINITROPHENOL
- DTXSID70193973
- 4097-58-9
-
- Inchi： 1S/C12H14N2O5/c15-12-10(13(16)17)6-9(7-11(12)14(18)19)8-4-2-1-3-5-8/h6-8,15H,1-5H2
- InChI Key： FQTXZQQAXMVGTE-UHFFFAOYSA-N
- SMILES： OC1=C(C=C(C=C1[N+](=O)[O-])C1CCCCC1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 266.09032
- Monoisotopic Mass: 266.09027155g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 321
- 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
- Topological Polar Surface Area: 112?2
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 4.3
Experimental Properties
- PSA: 106.51
Phenol,4-cyclohexyl-2,6-dinitro- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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