| CAS Number | 1094288-67-1 |
| Catalog Number | AG01A8CV(AGN-PC-0WO4DX) |
| Chemical Name | 5-bromo-7-chloro-3-methyl-1-benzofuran-2-carboxylic acid |
| IUPAC Name | 5-bromo-7-chloro-3-methyl-1-benzofuran-2-carboxylic acid |
| InChI | InChI=1S/C10H6BrClO3/c1-4-6-2-5(11)3-7(12)9(6)15-8(4)10(13)14/h2-3H,1H3,(H,13,14) |
| InChI Key | WUTGYKZDTLTOEG-UHFFFAOYSA-N |
| MDL Number | MFCD11207508 |
| Molecular Formula | C10H6BrClO3 |
| Molecular Weight | 289.5098 |
| SMILES | CC1C2=C(C(=CC(=C2)Br)Cl)OC=1C(O)=O |
| Synonyms | 5-bromo-7-chloro-3-methyl-1-benzofuran-2-carboxylic acid,
1094288-67-1,
AC1Q2G94,
CTK5I6416,
ZINC36928504,
AKOS008124088,
MCULE-4399273866,
NE53868,
EN300-61340,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.509g/mol |
| Monoisotopic Mass | 287.919g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number