| CAS Number | 34878-46-1 |
| Catalog Number | AG01DWD2(AGN-PC-0RAA1Q) |
| Chemical Name | 1-(4-BROMOTHIOPHEN-2-YL)ETHAN-1-OL |
| IUPAC Name | 1-(4-bromothiophen-2-yl)ethanol |
| InChI | InChI=1S/C6H7BrOS/c1-4(8)6-2-5(7)3-9-6/h2-4,8H,1H3 |
| InChI Key | DPTFBIIZOCHASS-UHFFFAOYSA-N |
| MDL Number | MFCD20294121 |
| Molecular Formula | C6H7BrOS |
| Molecular Weight | 207.0882 |
| SMILES | BrC=1C=C(SC1)C(C)O |
| Synonyms | 1-(4-bromothiophen-2-yl)ethan-1-ol,
34878-46-1,
(R)-1-(4-Bromothiophen-2-yl)ethanol,
2-Thiophenemethanol, 4-bromo-alpha-methyl-,
SCHEMBL7931987,
DPTFBIIZOCHASS-UHFFFAOYSA-N,
AKOS013630215,
4-bromo-2-(1'-hydroxyethyl)thiophene,
(S)-1-(4-Bromothiophen-2-yl)ethanol,
1344911-72-3,
1344958-87-7,
|
| Complexity | 99.1 |
| 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 | 1 |
| Topological Polar Surface Area | 48.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number