Cas no 69689-40-3 (Phosphoric acid,3-ethyl-4-nitrophenyl dimethyl ester)
69689-40-3 structure
Product Name:Phosphoric acid,3-ethyl-4-nitrophenyl dimethyl ester
CAS No:69689-40-3
MF:C10H14NO6P
MW:275.195024013519
CID:522697
PubChem ID:3053255
Update Time:2025-04-19
Phosphoric acid,3-ethyl-4-nitrophenyl dimethyl ester Chemical and Physical Properties
Names and Identifiers
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- Phosphoric acid,3-ethyl-4-nitrophenyl dimethyl ester
- (3-ethyl-4-nitrophenyl) dimethyl phosphate
- 69689-40-3
- DTXSID40219977
- CHEMBL346713
- Phosphoric acid, dimethyl 3-ethyl-4-nitrophenyl ester
- Dimethyl 3-ethyl-4-nitrophenyl phosphate
-
- Inchi： 1S/C10H14NO6P/c1-4-8-7-9(5-6-10(8)11(12)13)17-18(14,15-2)16-3/h5-7H,4H2,1-3H3
- InChI Key： YLUBADVYIDRHNX-UHFFFAOYSA-N
- SMILES： P(=O)(OC)(OC)OC1C=CC(=C(C=1)CC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 275.05592
- Monoisotopic Mass: 275.05587416g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 323
- 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
- Topological Polar Surface Area: 90.6?2
Experimental Properties
- PSA: 87.9
Phosphoric acid,3-ethyl-4-nitrophenyl dimethyl ester Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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