| CAS Number | 1019115-67-3 |
| Catalog Number | AG01A5ZI(AGN-PC-0WO51G) |
| Chemical Name | 7-bromo-3-methyl-1-benzofuran-2-carboxylic acid |
| IUPAC Name | 7-bromo-3-methyl-1-benzofuran-2-carboxylic acid |
| InChI | InChI=1S/C10H7BrO3/c1-5-6-3-2-4-7(11)9(6)14-8(5)10(12)13/h2-4H,1H3,(H,12,13) |
| InChI Key | NVDHJNRYFRJTCL-UHFFFAOYSA-N |
| MDL Number | MFCD09965716 |
| Molecular Formula | C10H7BrO3 |
| Molecular Weight | 255.0648 |
| SMILES | CC1C2=C(C(=CC=C2)Br)OC=1C(O)=O |
| Synonyms | 7-bromo-3-methyl-1-benzofuran-2-carboxylic acid,
1019115-67-3,
ZINC11920439,
AKOS009328484,
MCULE-8622660280,
NE31406,
F2169-0510,
Z1642389688,
|
| Complexity | 244 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.067g/mol |
| Monoisotopic Mass | 253.958g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number