Cas no 87740-07-6 (Benzenemethanol, 4-[(4-nitrophenoxy)methyl]-)
87740-07-6 structure
Product Name:Benzenemethanol, 4-[(4-nitrophenoxy)methyl]-
CAS No:87740-07-6
MF:C14H13NO4
MW:259.257323980331
CID:652862
PubChem ID:71412234
Update Time:2025-04-19
Benzenemethanol, 4-[(4-nitrophenoxy)methyl]- Chemical and Physical Properties
Names and Identifiers
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- Benzenemethanol, 4-[(4-nitrophenoxy)methyl]-
- [4-[(4-nitrophenoxy)methyl]phenyl]methanol
- DTXSID80831798
- 87740-07-6
- {4-[(4-Nitrophenoxy)methyl]phenyl}methanol
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- Inchi: 1S/C14H13NO4/c16-9-11-1-3-12(4-2-11)10-19-14-7-5-13(6-8-14)15(17)18/h1-8,16H,9-10H2
- InChI Key: CNWRVNZLOLYLTF-UHFFFAOYSA-N
- SMILES: O(C1C=CC(=CC=1)[N+](=O)[O-])CC1C=CC(CO)=CC=1
Computed Properties
- Exact Mass: 259.08445790g/mol
- Monoisotopic Mass: 259.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 276
- 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: 2.3
- Topological Polar Surface Area: 75.3?2
Benzenemethanol, 4-[(4-nitrophenoxy)methyl]- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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