| CAS Number | 141811-49-6 |
| Catalog Number | AG009J6D(AGN-PC-0A1F0O) |
| Chemical Name | 2-(3-Bromothiophen-2-yl)ethan-1-ol |
| IUPAC Name | 2-(3-bromothiophen-2-yl)ethanol |
| InChI | InChI=1S/C6H7BrOS/c7-5-2-4-9-6(5)1-3-8/h2,4,8H,1,3H2 |
| InChI Key | KCZAFTAJOFCEPQ-UHFFFAOYSA-N |
| MDL Number | MFCD19622822 |
| Molecular Formula | C6H7BrOS |
| Molecular Weight | 207.0882 |
| SMILES | OCCC1=C(Br)C=CS1 |
| Synonyms | 2-(3-bromothiophen-2-yl)ethanol,
141811-49-6,
2-(3-bromothiophen-2-yl)ethan-1-ol,
2-Thiopheneethanol, 3-bromo-,
SCHEMBL7380102,
ZINC69049537,
AKOS013284450,
DA-10458,
FT-0732797,
|
| Complexity | 89.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.085g/mol |
| Monoisotopic Mass | 205.94g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 48.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number