Cas no 59920-03-5 (Phenol, 2,6-bis[(2-hydroxy-5-nitrophenyl)methyl]-4-nitro-)
![Phenol, 2,6-bis[(2-hydroxy-5-nitrophenyl)methyl]-4-nitro- structure](https://ossimg.kuujia.com/scimg/60000/59920-03-5x500.png)
59920-03-5 structure
Product Name:Phenol, 2,6-bis[(2-hydroxy-5-nitrophenyl)methyl]-4-nitro-
CAS No:59920-03-5
MF:C20H15N3O9
MW:441.347805261612
CID:336841
PubChem ID:71442618
Update Time:2025-04-19
Phenol, 2,6-bis[(2-hydroxy-5-nitrophenyl)methyl]-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2,6-bis[(2-hydroxy-5-nitrophenyl)methyl]-4-nitro-
- 2,6-bis[(2-hydroxy-5-nitrophenyl)methyl]-4-nitrophenol
- DTXSID50851483
- 2,2'-[(2-Hydroxy-5-nitro-1,3-phenylene)bis(methylene)]bis(4-nitrophenol)
- SCHEMBL19501412
- 59920-03-5
-
- Inchi： 1S/C20H15N3O9/c24-18-3-1-15(21(27)28)7-11(18)5-13-9-17(23(31)32)10-14(20(13)26)6-12-8-16(22(29)30)2-4-19(12)25/h1-4,7-10,24-26H,5-6H2
- InChI Key： LUKXCHBKMJNNAJ-UHFFFAOYSA-N
- SMILES： OC1C(=CC(=CC=1CC1C=C(C=CC=1O)[N+](=O)[O-])[N+](=O)[O-])CC1C=C(C=CC=1O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 441.08085
- Monoisotopic Mass: 441.08082906g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 32
- Rotatable Bond Count: 4
- Complexity: 641
- 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: 4.2
- Topological Polar Surface Area: 198?2
Experimental Properties
- PSA: 190.11
Phenol, 2,6-bis[(2-hydroxy-5-nitrophenyl)methyl]-4-nitro- Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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