Cas no 57693-39-7 (Phenol, 2-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-4-nitro-)
![Phenol, 2-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-4-nitro- structure](https://ossimg.kuujia.com/scimg/58000/57693-39-7x500.png)
57693-39-7 structure
Product Name:Phenol, 2-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-4-nitro-
CAS No:57693-39-7
MF:C14H12N2O6
MW:304.254883766174
CID:344558
PubChem ID:12256669
Update Time:2025-04-19
Phenol, 2-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-4-nitro-
- 2-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-4-nitrophenol
- DTXSID80482709
- 57693-39-7
-
- Inchi： 1S/C14H12N2O6/c1-8-4-12(16(21)22)7-10(14(8)18)5-9-6-11(15(19)20)2-3-13(9)17/h2-4,6-7,17-18H,5H2,1H3
- InChI Key： SMZGOSDMEQREHM-UHFFFAOYSA-N
- SMILES： OC1C(C)=CC(=CC=1CC1C=C(C=CC=1O)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 304.06956
- Monoisotopic Mass: 304.06953611g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 421
- 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: 3.2
- Topological Polar Surface Area: 132?2
Experimental Properties
- PSA: 126.74
Phenol, 2-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-4-nitro- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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