1,2-Diazenedicarboxylic Acid 1-Ethyl 2-(phenylmethyl) Ester - CAS 111508-33-9
Catalog: |
BB068226 |
Product Name: |
1,2-Diazenedicarboxylic Acid 1-Ethyl 2-(phenylmethyl) Ester |
CAS: |
111508-33-9 |
Synonyms: |
Diazenedicarboxylic Acid Ethyl Phenylmethyl Ester |
IUPAC Name: | benzyl N-ethoxycarbonyliminocarbamate |
Description: | 1,2-Diazenedicarboxylic Acid 1-Ethyl 2-(phenylmethyl) Ester is an intermediate used to synthesize Tetrahydro-1H-pyrazolo[1,2-a]pyridazine-1,3(2H)-dione (T296020) which is a reagent used to prepare alkylphenylpyrazolines, -pyrroles, -furans, -thiophenes, or -thiazines as herbicides. |
Molecular Weight: | 236.22 |
Molecular Formula: | C11H12N2O4 |
Canonical SMILES: | CCOC(=O)N=NC(=O)OCC1=CC=CC=C1 |
InChI: | InChI=1S/C11H12N2O4/c1-2-16-10(14)12-13-11(15)17-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
InChI Key: | CKJYLQGWZBDKBR-UHFFFAOYSA-N |
References: | Maetzke, T., et al. PCT Int. Appl. (2001), WO 2001017972 A2 20010315. |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.07970687 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.07970687 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 77.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 2.8 |
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