| CAS Number | 62157-66-8 |
| Catalog Number | AG01E8MM(AGN-PC-0ODND2) |
| Chemical Name | methyl (2E)-3-(5-bromofuran-2-yl)prop-2-enoate |
| IUPAC Name | methyl 3-(5-bromofuran-2-yl)prop-2-enoate |
| InChI | InChI=1S/C8H7BrO3/c1-11-8(10)5-3-6-2-4-7(9)12-6/h2-5H,1H3 |
| InChI Key | HHPXRRQKAZDWDG-UHFFFAOYSA-N |
| MDL Number | MFCD07799850 |
| Molecular Formula | C8H7BrO3 |
| Molecular Weight | 231.0434 |
| SMILES | COC(/C=C/C1OC(Br)=CC=1)=O |
| Synonyms | (E)-Methyl 3-(5-bromofuran-2-yl)acrylate,
62157-66-8,
CTK1G6563,
CTK2C5979,
HHPXRRQKAZDWDG-UHFFFAOYSA-N,
MCULE-2606508894,
methyl 3-(5-bromofuran-2-yl)acrylate,
50527-71-4,
2-Propenoic acid, 3-(5-bromo-2-furanyl)-, methyl ester,
2-Propenoic acid, 3-(5-bromo-2-furanyl)-, methyl ester, (E)-,
methyl 3-(5-bromofuran-2-yl)prop-2-enoate,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.045g/mol |
| Monoisotopic Mass | 229.958g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number