3-(4-Bromobenzoyl)propionic acid - CAS 6340-79-0
Catalog: |
BB032130 |
Product Name: |
3-(4-Bromobenzoyl)propionic acid |
CAS: |
6340-79-0 |
Synonyms: |
4-(4-bromophenyl)-4-oxobutanoic acid |
IUPAC Name: | 4-(4-bromophenyl)-4-oxobutanoic acid |
Description: | 3-(4-Bromobenzoyl)propionic acid (CAS# 6340-79-0) is a useful research chemical. |
Molecular Weight: | 257.08 |
Molecular Formula: | C10H9BrO3 |
Canonical SMILES: | C1=CC(=CC=C1C(=O)CCC(=O)O)Br |
InChI: | InChI=1S/C10H9BrO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14) |
InChI Key: | ZODFRCZNTXLDDW-UHFFFAOYSA-N |
Boiling Point: | 428 °C at 760 mmHg |
Density: | 1.56 g/cm3 |
Solubility: | Water : Insoluble |
MDL: | MFCD00016563 |
LogP: | 2.49660 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112876495-A | Parthenolide derivative, pharmaceutical composition thereof, preparation method and application thereof | 20191129 |
WO-2019210828-A1 | Bcl-2 INHIBITORS | 20180429 |
AU-2019264475-A1 | Bcl-2 inhibitors | 20180429 |
BR-112020022092-A2 | compounds, method for treating unregulated apoptotic diseases and pharmaceutical composition | 20180429 |
CN-112437772-A | Bcl-2 inhibitors | 20180429 |
PMID | Publication Date | Title | Journal |
19564146 | 20090601 | Synthesis of novel 1,3,4-oxadiazole derivatives and their biological properties | Acta pharmaceutica (Zagreb, Croatia) |
19053823 | 20081225 | Novel high-affinity and selective biaromatic 4-substituted gamma-hydroxybutyric acid (GHB) analogues as GHB ligands: design, synthesis, and binding studies | Journal of medicinal chemistry |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.97351 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.97351 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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