| CAS Number | 150612-59-2 |
| Catalog Number | AG00HXT6(AGN-PC-0WQYF3) |
| Chemical Name | Ethyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate |
| IUPAC Name | ethyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate |
| InChI | InChI=1S/C12H11BrO3/c1-3-15-12(14)11-7(2)9-6-8(13)4-5-10(9)16-11/h4-6H,3H2,1-2H3 |
| InChI Key | WJZILNCGMYSKQQ-UHFFFAOYSA-N |
| MDL Number | MFCD03965818 |
| Molecular Formula | C12H11BrO3 |
| Molecular Weight | 283.1179 |
| SMILES | CCOC(C1=C(C)C2=C(C=CC(=C2)Br)O1)=O |
| Synonyms | 150612-59-2,
5-Bromo-3-methyl-benzofuran-2-carboxylic acid ethyl ester,
ethyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate,
Ethyl 5-bromo-3-methylbenzofuran-2-carboxylate,
AC1M60ER,
SCHEMBL788918,
AC1Q32C7,
CTK6F7810,
WJZILNCGMYSKQQ-UHFFFAOYSA-N,
ZINC3272772,
MFCD03965818,
AKOS008948499,
MCULE-4377759441,
NE26953,
EN300-05036,
SR-01000039814,
SR-01000039814-1,
ethyl 5-bromo-3-methyl-1-benzo[b]furan-2-carboxylate,
Z54083805,
ZINC03272772,
CID2388825,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.121g/mol |
| Monoisotopic Mass | 281.989g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number