Diethyl 4-(trifluoromethyl)benzylphosphonate - CAS 99578-68-4
Catalog: |
BB042310 |
Product Name: |
Diethyl 4-(trifluoromethyl)benzylphosphonate |
CAS: |
99578-68-4 |
Synonyms: |
1-(diethoxyphosphorylmethyl)-4-(trifluoromethyl)benzene |
IUPAC Name: | 1-(diethoxyphosphorylmethyl)-4-(trifluoromethyl)benzene |
Description: | Diethyl 4-(trifluoromethyl)benzylphosphonate (CAS# 99578-68-4 ) is a useful research chemical. |
Molecular Weight: | 296.22 |
Molecular Formula: | C12H16F3O3P |
Canonical SMILES: | CCOP(=O)(CC1=CC=C(C=C1)C(F)(F)F)OCC |
InChI: | InChI=1S/C12H16F3O3P/c1-3-17-19(16,18-4-2)9-10-5-7-11(8-6-10)12(13,14)15/h5-8H,3-4,9H2,1-2H3 |
InChI Key: | NTQKMIQYHZLRSW-UHFFFAOYSA-N |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.227 g/mL at 25 ℃ |
LogP: | 4.47150 |
Refractive Index: | n20/D 1.456 |
Publication Number | Title | Priority Date |
EP-2697232-A1 | 6,7 - dihydroimidazo [2, 1 - b][1, 3]oxazine bactericides | 20110415 |
EP-2697232-B1 | 6,7-dihydroimidazo[2,1-b][1,3]oxazine bactericides | 20110415 |
JP-2014510695-A | 6,7-Dihydroimidazo [2,1-b] [1,3] oxazine compound | 20110415 |
JP-5916739-B2 | 6,7-Dihydroimidazo [2,1-b] [1,3] oxazine compound | 20110415 |
US-2014031342-A1 | 6,7-DIHYDROIMIDAZO [2,1-b] [1,3]OXAZINE BACTERICIDES | 20110415 |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.07891585 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.07891585 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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