Methyl 4-Bromo-3-cyanobenzoate - CAS 1232424-44-0
Catalog: |
BB005649 |
Product Name: |
Methyl 4-Bromo-3-cyanobenzoate |
CAS: |
1232424-44-0 |
Synonyms: |
4-bromo-3-cyanobenzoic acid methyl ester; methyl 4-bromo-3-cyanobenzoate |
IUPAC Name: | methyl 4-bromo-3-cyanobenzoate |
Description: | Methyl 4-Bromo-3-cyanobenzoate (CAS# 1232424-44-0) is a useful research chemical. |
Molecular Weight: | 240.05 |
Molecular Formula: | C9H6BrNO2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)Br)C#N |
InChI: | InChI=1S/C9H6BrNO2/c1-13-9(12)6-2-3-8(10)7(4-6)5-11/h2-4H,1H3 |
InChI Key: | OAXDJXKMGGXRNZ-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.10738 |
Publication Number | Title | Priority Date |
WO-2020207941-A1 | Heterocyclic compounds as inhibitors of monoacylglycerol lipase (magl) | 20190409 |
US-2021147398-A1 | Novel lxr modulators with bicyclic core moiety | 20180628 |
EP-3632910-A1 | Lactam compound as fxr receptor agonist | 20170526 |
EP-3183248-A1 | Tied-back benzamide derivatives as potent rock inhibitors | 20140821 |
JP-2017524026-A | Tideback benzamide derivatives as potent ROCK inhibitors | 20140821 |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.95819 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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