| CAS Number | 67137-56-8 |
| Catalog Number | AG00FGT7(AGN-PC-0OFZL5) |
| Chemical Name | Methyl 2-(5-bromothiophen-2-yl)acetate |
| IUPAC Name | methyl 2-(5-bromothiophen-2-yl)acetate |
| InChI | InChI=1S/C7H7BrO2S/c1-10-7(9)4-5-2-3-6(8)11-5/h2-3H,4H2,1H3 |
| InChI Key | KEYPHZZYKZVXLU-UHFFFAOYSA-N |
| MDL Number | MFCD19354070 |
| Molecular Formula | C7H7BrO2S |
| Molecular Weight | 235.0983 |
| SMILES | O=C(OC)CC1=CC=C(Br)S1 |
| Synonyms | Methyl 2-(5-bromothiophen-2-yl)acetate,
67137-56-8,
SCHEMBL1598343,
KEYPHZZYKZVXLU-UHFFFAOYSA-N,
methyl (5-bromo-2-thienyl)acetate,
MFCD19354070,
ZINC57524816,
AKOS017409157,
AS-41098,
2-Thiopheneacetic acid, 5-bromo-, methyl ester,
(5-bromo-thiophen-2-yl)-acetic acid methyl ester,
methyl 2-(5-bromothiophen-2-yl)acetate, 95% - 1G 1g,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.095g/mol |
| Monoisotopic Mass | 233.935g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number