| CAS Number | 1247406-14-9 |
| Catalog Number | AG009JU8(AGN-PC-0WB0S5) |
| Chemical Name | Methyl 7-bromo-1-benzofuran-2-carboxylate |
| IUPAC Name | methyl 7-bromo-1-benzofuran-2-carboxylate |
| InChI | InChI=1S/C10H7BrO3/c1-13-10(12)8-5-6-3-2-4-7(11)9(6)14-8/h2-5H,1H3 |
| InChI Key | BCEPJCGXVNFHHM-UHFFFAOYSA-N |
| MDL Number | MFCD14648669 |
| Molecular Formula | C10H7BrO3 |
| Molecular Weight | 255.0648 |
| SMILES | O=C(C(O1)=CC2=C1C(Br)=CC=C2)OC |
| Synonyms | methyl 7-bromo-1-benzofuran-2-carboxylate,
1247406-14-9,
METHYL 7-BROMOBENZOFURAN-2-CARBOXYLATE,
SCHEMBL20604721,
DTXSID00734010,
KS-000027KC,
3121AD,
MFCD14648669,
ZINC42270369,
AKOS009470759,
LG-0723,
MCULE-7632534790,
NE57314,
AJ-104207,
7-bromo-2-benzofurancarboxylic acid methyl ester,
C10H7BrO3,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.067g/mol |
| Monoisotopic Mass | 253.958g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number