| CAS Number | 1797928-84-7 |
| Catalog Number | AG01AFRD(AGN-PC-0WOAPX) |
| Chemical Name | 4-Bromo-2-methyl-1-benzofuran-7-carboxylic acid |
| IUPAC Name | 4-bromo-2-methyl-1-benzofuran-7-carboxylic acid |
| InChI | InChI=1S/C10H7BrO3/c1-5-4-7-8(11)3-2-6(10(12)13)9(7)14-5/h2-4H,1H3,(H,12,13) |
| InChI Key | WLSSAROQVAPOJR-UHFFFAOYSA-N |
| MDL Number | MFCD27959362 |
| Molecular Formula | C10H7BrO3 |
| Molecular Weight | 255.0648 |
| SMILES | CC1OC2=C(C(=CC=C2C(O)=O)Br)C=1 |
| Synonyms | 4-bromo-2-methyl-1-benzofuran-7-carboxylic acid,
1797928-84-7,
ZINC95942455,
AKOS026729516,
MCULE-7140149524,
Z1787421121,
|
| 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 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number