Ethyl 3-Bromo-5-nitrobenzoate - CAS 690260-94-7
Catalog: |
BB033672 |
Product Name: |
Ethyl 3-Bromo-5-nitrobenzoate |
CAS: |
690260-94-7 |
Synonyms: |
3-bromo-5-nitrobenzoic acid ethyl ester; ethyl 3-bromo-5-nitrobenzoate |
IUPAC Name: | ethyl 3-bromo-5-nitrobenzoate |
Description: | Ethyl 3-Bromo-5-nitrobenzoate (CAS# 690260-94-7) is a useful research chemical. |
Molecular Weight: | 274.07 |
Molecular Formula: | C9H8BrNO4 |
Canonical SMILES: | CCOC(=O)C1=CC(=CC(=C1)Br)[N+](=O)[O-] |
InChI: | InChI=1S/C9H8BrNO4/c1-2-15-9(12)6-3-7(10)5-8(4-6)11(13)14/h3-5H,2H2,1H3 |
InChI Key: | PUBVWGDKFHIPRR-UHFFFAOYSA-N |
Boiling Point: | 338.7 °C at 760 mmHg |
Density: | 1.594 g/cm3 |
MDL: | MFCD09258760 |
LogP: | 3.05720 |
Publication Number | Title | Priority Date |
WO-2020086728-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181024 |
CN-113347970-A | Compounds and compositions for treating conditions associated with NLRP activity | 20181024 |
EP-3870168-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181024 |
WO-2019079119-A1 | SULFONAMIDES AND ASSOCIATED COMPOSITIONS FOR THE TREATMENT OF PATHOLOGICAL CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | 20171017 |
CN-111417622-A | Sulfonamides and compositions thereof for the treatment of conditions associated with N L RP activity | 20171017 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.96367 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.96367 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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