Diethyl 2-(2-Nitrobenzyl)malonate - CAS 59803-35-9
Catalog: |
BB030509 |
Product Name: |
Diethyl 2-(2-Nitrobenzyl)malonate |
CAS: |
59803-35-9 |
Synonyms: |
2-[(2-nitrophenyl)methyl]propanedioic acid diethyl ester; diethyl 2-[(2-nitrophenyl)methyl]propanedioate |
IUPAC Name: | diethyl 2-[(2-nitrophenyl)methyl]propanedioate |
Description: | Diethyl 2-(2-Nitrobenzyl)malonate (CAS# 59803-35-9) is a useful research chemical. |
Molecular Weight: | 295.29 |
Molecular Formula: | C14H17NO6 |
Canonical SMILES: | CCOC(=O)C(CC1=CC=CC=C1[N+](=O)[O-])C(=O)OCC |
InChI: | InChI=1S/C14H17NO6/c1-3-20-13(16)11(14(17)21-4-2)9-10-7-5-6-8-12(10)15(18)19/h5-8,11H,3-4,9H2,1-2H3 |
InChI Key: | XKWHIUXRQYXRSG-UHFFFAOYSA-N |
Boiling Point: | 386.9 ℃ at 760 mmHg |
Density: | 1.227 g/cm3 |
LogP: | 2.40290 |
Publication Number | Title | Priority Date |
WO-2014135096-A1 | Ivacaftor preparation method and intermediate thereof | 20130306 |
EP-2427436-B1 | Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands | 20090507 |
US-2011003795-A1 | Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands | 20090507 |
US-8334315-B2 | Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands | 20090507 |
WO-2010127855-A1 | Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands | 20090507 |
Complexity: | 360 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 295.10558726 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 295.10558726 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 98.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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