| CAS Number | 177735-22-7 |
| Catalog Number | AG00AQRI(AGN-PC-0WBKVY) |
| Chemical Name | Ethyl 4-bromobenzofuran-2-carboxylate |
| IUPAC Name | ethyl 4-bromo-1-benzofuran-2-carboxylate |
| InChI | InChI=1S/C11H9BrO3/c1-2-14-11(13)10-6-7-8(12)4-3-5-9(7)15-10/h3-6H,2H2,1H3 |
| InChI Key | HMZUPXGTBJYBSS-UHFFFAOYSA-N |
| MDL Number | MFCD16038163 |
| Molecular Formula | C11H9BrO3 |
| Molecular Weight | 269.0914 |
| SMILES | CCOC(=O)c1oc2c(c1)c(Br)ccc2 |
| Synonyms | ETHYL 4-BROMOBENZOFURAN-2-CARBOXYLATE,
177735-22-7,
ethyl 4-bromo-1-benzofuran-2-carboxylate,
SCHEMBL8440469,
DTXSID10618675,
HMZUPXGTBJYBSS-UHFFFAOYSA-N,
4-bromo-2-ethoxycarbonylbenzofuran,
MFCD16038163,
ZINC94968057,
4-bromo-2-ethoxycarbonylbenzo[b]furan,
AKOS016353148,
MCULE-2081905597,
NS-04298,
SY226909,
AJ-131972,
AX8254092,
MFCD16038163 (95%),
4-Bromobenzofuran-2-carboxylic acid,
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| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.094g/mol |
| Monoisotopic Mass | 267.974g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number