| CAS Number | 120715-53-9 |
| Catalog Number | AG01B2M3(AGN-PC-0H4VQ7) |
| Chemical Name | 4,5-Dibromo-3-methoxythiophene-2-carboxylic acid |
| IUPAC Name | 4,5-dibromo-3-methoxythiophene-2-carboxylic acid |
| InChI | InChI=1S/C6H4Br2O3S/c1-11-3-2(7)5(8)12-4(3)6(9)10/h1H3,(H,9,10) |
| InChI Key | KRPZDVMWQRIHOA-UHFFFAOYSA-N |
| MDL Number | MFCD26129618 |
| Molecular Formula | C6H4Br2O3S |
| Molecular Weight | 315.9672 |
| SMILES | COC1=C(C(O)=O)SC(Br)=C1Br |
| Synonyms | 4,5-Dibromo-3-methoxythiophene-2-carboxylic acid,
120715-53-9,
SCHEMBL476321,
ZINC96511038,
4,5-Dibromo-3-methoxy-thiophene-2-carboxylic acid,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.823g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.963g/mol |
| Monoisotopic Mass | 313.825g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number