Cas no 15794-69-1 (Benzenemethanol, 2-nitro-4,5-bis(phenylmethoxy)-)
15794-69-1 structure
Product Name:Benzenemethanol, 2-nitro-4,5-bis(phenylmethoxy)-
CAS No:15794-69-1
MF:C21H19NO5
MW:365.379266023636
CID:1335814
PubChem ID:71354012
Update Time:2025-04-20
Benzenemethanol, 2-nitro-4,5-bis(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 2-nitro-4,5-bis(phenylmethoxy)-
- [2-nitro-4,5-bis(phenylmethoxy)phenyl]methanol
- 15794-69-1
- DTXSID50778722
- [4,5-Bis(benzyloxy)-2-nitrophenyl]methanol
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- Inchi： 1S/C21H19NO5/c23-13-18-11-20(26-14-16-7-3-1-4-8-16)21(12-19(18)22(24)25)27-15-17-9-5-2-6-10-17/h1-12,23H,13-15H2
- InChI Key： MDFPUTQIVDXUHA-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C1=CC(CO)=C(C=C1OCC1C=CC=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 365.12637
- Monoisotopic Mass: 365.12632271g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 27
- Rotatable Bond Count: 7
- Complexity: 442
- 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: 3.8
- Topological Polar Surface Area: 84.5?2
Experimental Properties
- PSA: 81.83
Benzenemethanol, 2-nitro-4,5-bis(phenylmethoxy)- Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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