| CAS Number | 1451878-28-6 |
| Catalog Number | AG01DTLV |
| Chemical Name | methyl 2-[(2Z)-3-bromo-4-methyl-5-oxo-2,5-dihydrofuran-2-ylidene]acetate |
| IUPAC Name | methyl 2-(3-bromo-4-methyl-5-oxofuran-2-ylidene)acetate |
| InChI | InChI=1S/C8H7BrO4/c1-4-7(9)5(13-8(4)11)3-6(10)12-2/h3H,1-2H3 |
| InChI Key | GOKPGZYFWLVXRH-UHFFFAOYSA-N |
| MDL Number | MFCD31801914 |
| Molecular Formula | C8H7BrO4 |
| Molecular Weight | 247.0428 |
| SMILES | COC(=O)C=C1/OC(=O)C(C)=C1Br |
| Synonyms | Methyl (Z)-(3-bromo-4-methyl-5-oxofuran-2(5H)-ylidene)ethanoate,
1451878-28-6,
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| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.044g/mol |
| Monoisotopic Mass | 245.953g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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