| CAS Number | 91150-58-2 |
| Catalog Number | AG00IGII(AGN-PC-0OMKFY) |
| Chemical Name | Methyl 3-(4-bromo-thiophen-2-yl)-acrylate |
| IUPAC Name | methyl (E)-3-(4-bromothiophen-2-yl)prop-2-enoate |
| InChI | InChI=1S/C8H7BrO2S/c1-11-8(10)3-2-7-4-6(9)5-12-7/h2-5H,1H3/b3-2+ |
| InChI Key | OPKVLLQCBXEGTN-NSCUHMNNSA-N |
| MDL Number | MFCD14706351 |
| Molecular Formula | C8H7BrO2S |
| Molecular Weight | 247.1090 |
| SMILES | COC(/C=C/C1SC=C(Br)C=1)=O |
| Synonyms | Methyl 3-(4-bromo-thiophen-2-yl)-acrylate,
91150-58-2,
Methyl 3-(4-bromothiophen-2-yl)acrylate,
SCHEMBL1904084,
ZINC34750871,
AKOS017559449,
FCH1387725,
FCH5169950,
BBV-44251251,
(E)-3-(4-Bromo-2-thienyl)acrylic acid methyl ester,
2-Propenoic acid, 3-(4-bromo-2-thienyl)-, methyl ester, (E)-,
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| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 245.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.106g/mol |
| Monoisotopic Mass | 245.935g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number