| CAS Number | 1019111-85-3 |
| Catalog Number | AG01A8BL(AGN-PC-0WO1G2) |
| Chemical Name | 7-Bromo-5-chloro-3-methyl-1-benzofuran-2-carboxylic acid |
| IUPAC Name | 7-bromo-5-chloro-3-methyl-1-benzofuran-2-carboxylic acid |
| InChI | InChI=1S/C10H6BrClO3/c1-4-6-2-5(12)3-7(11)9(6)15-8(4)10(13)14/h2-3H,1H3,(H,13,14) |
| InChI Key | ORWIALWRQZLXAE-UHFFFAOYSA-N |
| MDL Number | MFCD09965715 |
| Molecular Formula | C10H6BrClO3 |
| Molecular Weight | 289.5098 |
| SMILES | CC1C2=C(C(=CC(=C2)Cl)Br)OC=1C(O)=O |
| Synonyms | 7-bromo-5-chloro-3-methyl-1-benzofuran-2-carboxylic acid,
1019111-85-3,
AC1Q2G9B,
CTK6G6309,
SBB077407,
ZINC11920438,
AKOS005136812,
MCULE-8923362901,
NE49930,
EN300-61239,
F2169-0509,
7-bromo-5-chloro-3-methylbenzo[b]furan-2-carboxylic acid,
|
| 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