| CAS Number | 1344234-60-1 |
| Catalog Number | AG01A41S(AGN-PC-0WO47K) |
| Chemical Name | 5-Bromo-7-methyl-1-benzofuran-2-carboxylic acid |
| IUPAC Name | 5-bromo-7-methyl-1-benzofuran-2-carboxylic acid |
| InChI | InChI=1S/C10H7BrO3/c1-5-2-7(11)3-6-4-8(10(12)13)14-9(5)6/h2-4H,1H3,(H,12,13) |
| InChI Key | SICPVBNFSMTGKO-UHFFFAOYSA-N |
| MDL Number | MFCD18294032 |
| Molecular Formula | C10H7BrO3 |
| Molecular Weight | 255.0648 |
| SMILES | CC1=C2C(C=C(C(O)=O)O2)=CC(Br)=C1 |
| Synonyms | 5-bromo-7-methyl-1-benzofuran-2-carboxylic acid,
1344234-60-1,
SCHEMBL18408652,
ZINC63061836,
AKOS012519382,
MCULE-3448008968,
NE27134,
Z1592042171,
|
| 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