| CAS Number | 93425-02-6 |
| Catalog Number | AG006FXX(AGN-PC-00L9JB) |
| Chemical Name | 2-Bromo-5-tert-butylthiophene |
| IUPAC Name | 2-bromo-5-tert-butylthiophene |
| InChI | InChI=1S/C8H11BrS/c1-8(2,3)6-4-5-7(9)10-6/h4-5H,1-3H3 |
| InChI Key | HTEIRRKBIRSBIZ-UHFFFAOYSA-N |
| MDL Number | MFCD18911054 |
| Molecular Formula | C8H11BrS |
| Molecular Weight | 219.1419 |
| SMILES | CC(C1SC(Br)=CC=1)(C)C |
| Synonyms | 2-Bromo-5-(tert-butyl)thiophene,
93425-02-6,
2-bromo-5-tert-butylthiophene,
2-bromo-5-t-butylthiophene,
SCHEMBL1773654,
CTK8D4297,
DTXSID70524460,
ZINC39414097,
AKOS015946463,
DA-40392,
SY167580,
TC-071539,
FT-0716963,
MFCD18911054 (95%),
|
| Complexity | 117 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.14g/mol |
| Monoisotopic Mass | 217.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number