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165534-43-0 | Phosphoric acid, diethyl 4-oxo-1,2,3-benzotriazin-3-yl ester
CAS No: 165534-43-0 Catalog No: AG001W6W MDL No:MFCD01236967
Product Description
Catalog Number:
AG001W6W
Chemical Name:
Phosphoric acid, diethyl 4-oxo-1,2,3-benzotriazin-3-yl ester
CAS Number:
165534-43-0
Molecular Formula:
C11H14N3O5P
Molecular Weight:
299.2197
MDL Number:
MFCD01236967
IUPAC Name:
diethyl (4-oxo-1,2,3-benzotriazin-3-yl) phosphate
InChI:
InChI=1S/C11H14N3O5P/c1-3-17-20(16,18-4-2)19-14-11(15)9-7-5-6-8-10(9)12-13-14/h5-8H,3-4H2,1-2H3
InChI Key:
AJDPNPAGZMZOMN-UHFFFAOYSA-N
SMILES:
CCOP(=O)(On1nnc2c(c1=O)cccc2)OCC
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.223g/mol
Monoisotopic Mass:
299.067g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Active cytotoxic reagents based on non-metallocene non-diketonato well-defined C2-symmetrical titanium complexes of tetradentate bis(phenolato) ligands. | Journal of the American Chemical Society 20071010 |
| DEPBT as an efficient coupling reagent for amide bond formation with remarkable resistance to racemization. | Biopolymers 20050101 |
| The bold legacy of Emil Fischer. | Journal of peptide science : an official publication of the European Peptide Society 20030901 |
| Isomer abundance of bis(beta-diketonato) complexes of titanium(IV). Crystal structures of the antitumor compound budotitane [Ti(IV)(bzac)(2)(OEt)(2)] and of its dichloro-derivative [Ti(IV)(bzac)(2)Cl(2)] (bzac=1-phenylbutane-1,3-dionate). | Journal of inorganic biochemistry 20030601 |
| Synthesis of cyclopentapeptides and cycloheptapeptides by DEPBT and the influence of some factors on cyclization. | The journal of peptide research : official journal of the American Peptide Society 20020801 |
| New reagents, reactions, and peptidomimetics for drug design. | Biopolymers 20010101 |
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