2-Nitroethyl Benzoate - CAS 40789-79-5
Catalog: |
BB024667 |
Product Name: |
2-Nitroethyl Benzoate |
CAS: |
40789-79-5 |
Synonyms: |
benzoic acid 2-nitroethyl ester; 2-nitroethyl benzoate |
IUPAC Name: | 2-nitroethyl benzoate |
Description: | 2-Nitroethyl Benzoate (CAS# 40789-79-5 ) is a useful research chemical. |
Molecular Weight: | 195.17 |
Molecular Formula: | C9H9NO4 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)OCC[N+](=O)[O-] |
InChI: | InChI=1S/C9H9NO4/c11-9(14-7-6-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2 |
InChI Key: | LGUHWEZQUSOAKW-UHFFFAOYSA-N |
LogP: | 1.64330 |
Publication Number | Title | Priority Date |
JP-2013032328-A | Method for producing carboxylic acid ester | 20100826 |
AU-2010288534-A1 | Tetra-substituted heteroaryl compounds and their use as MDM2 and/or MDM4 modulators | 20090826 |
CA-2771936-A1 | Tetra-substituted heteroaryl compounds and their use as mdm2 and/or mdm4 modulators | 20090826 |
EP-2470502-A1 | Tetra-substituted heteroaryl compounds and their use as mdm2 and/or mdm4 modulators | 20090826 |
JP-2013503129-A | Tetra-substituted heteroaryl compounds and their use as MDM2 and / or MDM4 modulators | 20090826 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.05315777 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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