| CAS Number | 4192-32-9 |
| Catalog Number | AG00CM5H(AGN-PC-0WD323) |
| Chemical Name | Methyl 5-(2-bromoacetyl)thiophene-2-carboxylate |
| IUPAC Name | methyl 5-(2-bromoacetyl)thiophene-2-carboxylate |
| InChI | InChI=1S/C8H7BrO3S/c1-12-8(11)7-3-2-6(13-7)5(10)4-9/h2-3H,4H2,1H3 |
| InChI Key | KKPYVZJBLYIYRX-UHFFFAOYSA-N |
| MDL Number | MFCD13191387 |
| Molecular Formula | C8H7BrO3S |
| Molecular Weight | 263.1084 |
| SMILES | O=C(C1=CC=C(C(CBr)=O)S1)OC |
| Synonyms | 4192-32-9,
Methyl 5-(2-bromoacetyl)thiophene-2-carboxylate,
5-(2-Bromo-acetyl)-thiophene-2-carboxylic acid methyl ester,
2-bromo-1-(5-methoxycarbonylthiophen-2-yl)-ethanone,
Methyl 5-(bromoacetyl)thiophene-2-carboxylate,
5-(2-Bromoacetyl)thiophene-2-carboxylic acid methyl ester,
SCHEMBL277652,
CTK6J0305,
DTXSID40547767,
KKPYVZJBLYIYRX-UHFFFAOYSA-N,
MFCD13191387,
ZINC34135199,
AKOS022172501,
CM-2288,
QC-8589,
AJ-87115,
AS-48198,
AB0097355,
AX8259321,
methyl 5-(bromoacetyl)-2-thiophenecarboxylate,
Z-8555,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.105g/mol |
| Monoisotopic Mass | 261.93g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.6A^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
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