Cas no 50590-06-2 (3,5-dimethyl-4-nitrophenyl dimethyl phosphate)
50590-06-2 structure
Product Name:3,5-dimethyl-4-nitrophenyl dimethyl phosphate
CAS No:50590-06-2
MF:C10H14NO6P
MW:275.195024013519
CID:1567722
PubChem ID:3039451
Update Time:2025-04-21
3,5-dimethyl-4-nitrophenyl dimethyl phosphate Chemical and Physical Properties
Names and Identifiers
-
- 3,5-dimethyl-4-nitrophenyl dimethyl phosphate
- phosphoric acid, 3,5-dimethyl-4-nitrophenyl dimethyl ester
- (3,5-dimethyl-4-nitrophenyl) dimethyl phosphate
- Phosphoric acid 3,5-dimethyl-4-nitrophenyldimethyl ester
- CHEMBL158876
- DTXSID30198626
- Dimethyl 3,5-dimethyl-4-nitrophenyl phosphate
- 50590-06-2
- Phosphoric acid, dimethyl 3,5-dimethyl-4-nitrophenyl ester
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- Inchi： 1S/C10H14NO6P/c1-7-5-9(17-18(14,15-3)16-4)6-8(2)10(7)11(12)13/h5-6H,1-4H3
- InChI Key： CSEMVYTXVZNGDN-UHFFFAOYSA-N
- SMILES： P(=O)(OC)(OC)OC1C=C(C)C(=C(C)C=1)[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: 4
- Complexity: 324
- 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
3,5-dimethyl-4-nitrophenyl dimethyl phosphate Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
50590-06-2 (3,5-dimethyl-4-nitrophenyl dimethyl phosphate) Related Products
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