| CAS Number | 89280-91-1 |
| Catalog Number | AG01DL7U(AGN-PC-0JIN18) |
| Chemical Name | Methyl 2,5-dibromothiophene-3-carboxylate |
| IUPAC Name | methyl 2,5-dibromothiophene-3-carboxylate |
| InChI | InChI=1S/C6H4Br2O2S/c1-10-6(9)3-2-4(7)11-5(3)8/h2H,1H3 |
| InChI Key | VAOITIHBHNKQKO-UHFFFAOYSA-N |
| MDL Number | MFCD23697824 |
| Molecular Formula | C6H4Br2O2S |
| Molecular Weight | 299.9678 |
| SMILES | O=C(C1=C(Br)SC(Br)=C1)OC |
| Synonyms | Methyl 2,5-dibromothiophene-3-carboxylate,
89280-91-1,
DTXSID50856579,
ZINC95929513,
AKOS016025364,
DS-7677,
FCH2327787,
AK143442,
BBV-47546043,
AJ-135498,
AX8282704,
2,5-Dibromothiophene-3-carboxylic acid methyl ester,
3-Thiophenecarboxylic acid, 2,5-dibromo-, methyl ester,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.828g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.964g/mol |
| Monoisotopic Mass | 297.83g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number