| CAS Number | 62119-83-9 |
| Catalog Number | AG01AP5L(AGN-PC-0T33OG) |
| Chemical Name | 2-(5-Bromothiophen-2-yl)propan-2-ol |
| IUPAC Name | 2-(5-bromothiophen-2-yl)propan-2-ol |
| InChI | InChI=1S/C7H9BrOS/c1-7(2,9)5-3-4-6(8)10-5/h3-4,9H,1-2H3 |
| InChI Key | NDHQIRSJBXYKBH-UHFFFAOYSA-N |
| MDL Number | MFCD19351444 |
| Molecular Formula | C7H9BrOS |
| Molecular Weight | 221.1148 |
| SMILES | CC(C1SC(Br)=CC=1)(O)C |
| Synonyms | 2-(5-bromothiophen-2-yl)propan-2-ol,
62119-83-9,
SCHEMBL1164060,
NDHQIRSJBXYKBH-UHFFFAOYSA-N,
2-(5-bromo-2-thienyl)propan-2-ol,
ZINC57502108,
AKOS015942695,
FT-0749267,
2-bromo-5-(1-hydroxy-1-methylethyl)thiophene,
2-Thiophenemethanol, 5-bromo-alpha,alpha-dimethyl-,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.112g/mol |
| Monoisotopic Mass | 219.956g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number