Ethyl 3-Ethoxy-4-nitrobenzoate - CAS 342044-63-7
Catalog: |
BB022007 |
Product Name: |
Ethyl 3-Ethoxy-4-nitrobenzoate |
CAS: |
342044-63-7 |
Synonyms: |
3-ethoxy-4-nitrobenzoic acid ethyl ester; ethyl 3-ethoxy-4-nitrobenzoate |
IUPAC Name: | ethyl 3-ethoxy-4-nitrobenzoate |
Description: | Ethyl 3-Ethoxy-4-nitrobenzoate (CAS# 342044-63-7 ) is a useful research chemical. |
Molecular Weight: | 239.22 |
Molecular Formula: | C11H13NO5 |
Canonical SMILES: | CCOC1=C(C=CC(=C1)C(=O)OCC)[N+](=O)[O-] |
InChI: | InChI=1S/C11H13NO5/c1-3-16-10-7-8(11(13)17-4-2)5-6-9(10)12(14)15/h5-7H,3-4H2,1-2H3 |
InChI Key: | GULMPMFOOQNUTQ-UHFFFAOYSA-N |
LogP: | 2.69340 |
Publication Number | Title | Priority Date |
EP-2970331-A1 | Spiro azetidine isoxazole derivatives and their use as sstr5 antagonists | 20130314 |
EP-2970331-B1 | Spiro azetidine isoxazole derivatives and their use as sstr5 antagonists | 20130314 |
ES-2629729-T3 | Spiro azetidine asoxazol derivatives and their use as sstr5 antagonists | 20130314 |
JP-2016510719-A | Spiroazetidine isoxazole derivatives and their use as SSTR5 antagonists | 20130314 |
JP-6247697-B2 | Spiroazetidine isoxazole derivatives and their use as SSTR5 antagonists | 20130314 |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.07937252 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.07937252 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 81.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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