| CAS Number | 683251-61-8 |
| Catalog Number | AG019ERJ(AGN-PC-0BO81I) |
| Chemical Name | Methyl 2-(2-bromothiophen-3-yl)acetate |
| IUPAC Name | methyl 2-(2-bromothiophen-3-yl)acetate |
| InChI | InChI=1S/C7H7BrO2S/c1-10-6(9)4-5-2-3-11-7(5)8/h2-3H,4H2,1H3 |
| InChI Key | VRQKIUDOIMNBNZ-UHFFFAOYSA-N |
| MDL Number | MFCD27927327 |
| Molecular Formula | C7H7BrO2S |
| Molecular Weight | 235.0983 |
| SMILES | COC(CC1=C(Br)SC=C1)=O |
| Synonyms | Methyl 2-(2-bromothiophen-3-yl)acetate,
683251-61-8,
3-Thiopheneacetic acid, 2-bromo-, methyl ester,
SCHEMBL2684136,
VRQKIUDOIMNBNZ-UHFFFAOYSA-N,
MFCD27927327,
methyl (2-bromothiophen-3-yl)acetate,
AKOS027255860,
methyl (2-bromothiophene-3-yl)acetate,
ZINC168535412,
CS-0036332,
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| 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 | 2.4 |
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Certificate of Analysis
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