Ethyl 2-(5-Bromobenzofuran-3-yl)acetate - CAS 200204-85-9
Catalog: |
BB015455 |
Product Name: |
Ethyl 2-(5-Bromobenzofuran-3-yl)acetate |
CAS: |
200204-85-9 |
Synonyms: |
2-(5-bromo-3-benzofuranyl)acetic acid ethyl ester; ethyl 2-(5-bromo-1-benzofuran-3-yl)acetate |
IUPAC Name: | ethyl 2-(5-bromo-1-benzofuran-3-yl)acetate |
Description: | Ethyl 2-(5-Bromobenzofuran-3-yl)acetate (CAS# 200204-85-9) is a useful research chemical. |
Molecular Weight: | 283.12 |
Molecular Formula: | C12H11BrO3 |
Canonical SMILES: | CCOC(=O)CC1=COC2=C1C=C(C=C2)Br |
InChI: | InChI=1S/C12H11BrO3/c1-2-15-12(14)5-8-7-16-11-4-3-9(13)6-10(8)11/h3-4,6-7H,2,5H2,1H3 |
InChI Key: | NWCIURORZMAWNA-UHFFFAOYSA-N |
Boiling Point: | 341.7 °C at 760 mmHg |
Density: | 1.475 g/cm3 |
MDL: | MFCD09878709 |
LogP: | 3.30090 |
Publication Number | Title | Priority Date |
WO-2021047674-A1 | Bicyclic compound that acts as crbn protein regulator | 20190912 |
US-2014213538-A1 | Lysophosphatidic acid receptor antagonists | 20130115 |
WO-2014113485-A1 | Lysophosphatidic acid receptor antagonists | 20130115 |
CA-2255696-A1 | Azetidine, pyrrolidine and piperidine derivatives as 5-ht1d receptor agonists | 19960524 |
EP-0906308-A1 | Azetidine, pyrrolidine and piperidine derivatives as 5-ht1d receptor agonists | 19960524 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.98916 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.98916 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 39.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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