Ethyl (4-bromobenzoyl)acetate - CAS 26510-95-2
Catalog: |
BB019309 |
Product Name: |
Ethyl (4-bromobenzoyl)acetate |
CAS: |
26510-95-2 |
Synonyms: |
ethyl 3-(4-bromophenyl)-3-oxopropanoate |
IUPAC Name: | ethyl 3-(4-bromophenyl)-3-oxopropanoate |
Description: | Ethyl (4-bromobenzoyl)acetate (CAS# 26510-95-2) is a useful research chemical. |
Molecular Weight: | 271.11 |
Molecular Formula: | C11H11BrO3 |
Canonical SMILES: | CCOC(=O)CC(=O)C1=CC=C(C=C1)Br |
InChI: | InChI=1S/C11H11BrO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3 |
InChI Key: | PBDYXCKRDRCJDC-UHFFFAOYSA-N |
Boiling Point: | 268-269 °C |
Density: | 1.432 g/cm3 |
MDL: | MFCD00231243 |
LogP: | 2.58500 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P307+P311, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112209907-A | Method for synthesizing dihydrofuran containing 1, 3-indene dione spiro-skeleton by using microchannel reaction device | 20201021 |
CN-110552018-A | Method for synthesizing 1-naphthol compound based on electrochemical intermolecular cyclization | 20191017 |
CN-110552018-B | Method for synthesizing 1-naphthol compound based on electrochemical intermolecular cyclization | 20191017 |
WO-2020147739-A1 | Lysophosphatidic acid receptor antagonists and preparation method therefor | 20190115 |
WO-2020118116-A1 | Heterocyclyl polymethine ir chromophores | 20181205 |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.98916 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.98916 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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