Cas no 13074-11-8 (Phosphoric acid,dimethyl 3-(1-methylethyl)-4-nitrophenyl ester)
13074-11-8 structure
Product Name:Phosphoric acid,dimethyl 3-(1-methylethyl)-4-nitrophenyl ester
CAS No:13074-11-8
MF:C11H16NO6P
MW:289.221604347229
CID:230015
PubChem ID:83106
Update Time:2025-04-19
Phosphoric acid,dimethyl 3-(1-methylethyl)-4-nitrophenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphoric acid,dimethyl 3-(1-methylethyl)-4-nitrophenyl ester
- dimethyl (4-nitro-3-propan-2-ylphenyl) phosphate
- Phosphoric acid 3-isopropyl-4-nitrophenyldimethyl ester
- Phosphoric acid dimethyl 3-isopropyl-4-nitrophenyl ester
- 13074-11-8
- Dimethyl 3-isopropyl-4-nitrophenyl phosphate
- DTXSID70156705
- BRN 2295015
- CHEMBL345470
- Phosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl ester
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- Inchi： 1S/C11H16NO6P/c1-8(2)10-7-9(5-6-11(10)12(13)14)18-19(15,16-3)17-4/h5-8H,1-4H3
- InChI Key： FFXJBGZEAHBHCF-UHFFFAOYSA-N
- SMILES： P(=O)(OC)(OC)OC1C=CC(=C(C=1)C(C)C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 289.07158
- Monoisotopic Mass: 289.07152423g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 348
- 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: 2.6
- Topological Polar Surface Area: 90.6?2
Experimental Properties
- PSA: 87.9
Phosphoric acid,dimethyl 3-(1-methylethyl)-4-nitrophenyl ester Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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