| CAS Number | 59862-77-0 |
| Catalog Number | AG01C5JH |
| Chemical Name | Methyl 3-bromofuran-2-carboxylate |
| IUPAC Name | methyl 3-bromofuran-2-carboxylate |
| InChI | InChI=1S/C6H5BrO3/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3 |
| InChI Key | GBDHWJDDTHNXNL-UHFFFAOYSA-N |
| MDL Number | MFCD26402047 |
| Molecular Formula | C6H5BrO3 |
| Molecular Weight | 205.0061 |
| SMILES | BrC1=C(OC=C1)C(=O)OC |
| Synonyms | methyl 3-bromofuran-2-carboxylate,
59862-77-0,
methyl bromopyromucate,
2-Furancarboxylic acid, 3-bromo-, methyl ester,
SCHEMBL2417181,
GBDHWJDDTHNXNL-UHFFFAOYSA-N,
ZINC90130465,
3-Bromofuran-2-carboxylic acid methyl ester,
FT-0746084,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.007g/mol |
| Monoisotopic Mass | 203.942g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number