| CAS Number | 62224-20-8 |
| Catalog Number | AG00IAZR(AGN-PC-0NCP96) |
| Chemical Name | tert-Butyl 5-bromothiophene-2-carboxylate |
| IUPAC Name | tert-butyl 5-bromothiophene-2-carboxylate |
| InChI | InChI=1S/C9H11BrO2S/c1-9(2,3)12-8(11)6-4-5-7(10)13-6/h4-5H,1-3H3 |
| InChI Key | HFPUIDDBBWKTNO-UHFFFAOYSA-N |
| MDL Number | MFCD19600057 |
| Molecular Formula | C9H11BrO2S |
| Molecular Weight | 263.1514 |
| SMILES | c1c(sc(c1)C(=O)OC(C)(C)C)Br |
| Synonyms | Tert-butyl 5-bromothiophene-2-carboxylate,
62224-20-8,
2-Thiophenecarboxylic acid, 5-bromo-, 1,1-dimethylethyl ester,
SCHEMBL5043396,
CTK2C4647,
DTXSID70448152,
HFPUIDDBBWKTNO-UHFFFAOYSA-N,
ZINC82671106,
AKOS013212639,
DA-41931,
FT-0718105,
5-Bromo-2-thiophenecarboxylic acid tert-butyl ester,
5-Bromo-thiophene-2-carboxylic Acid Tert-butyl Ester,
CID10912335,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.149g/mol |
| Monoisotopic Mass | 261.966g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number