| CAS Number | 1229624-12-7 |
| Catalog Number | AG009DVX(AGN-PC-0WB5S1) |
| Chemical Name | 3-(2-Bromoethyl)tetrahydrofuran |
| IUPAC Name | 3-(2-bromoethyl)oxolane |
| InChI | InChI=1S/C6H11BrO/c7-3-1-6-2-4-8-5-6/h6H,1-5H2 |
| InChI Key | QUNGVZNMYWXZDW-UHFFFAOYSA-N |
| MDL Number | MFCD17078851 |
| Molecular Formula | C6H11BrO |
| Molecular Weight | 179.0549 |
| SMILES | O1CCC(CCBr)C1 |
| Synonyms | 3-(2-Bromoethyl)tetrahydrofuran,
1229624-12-7,
3-(2-bromoethyl)-tetrahydrofuran,
3-(2-bromoethyl)oxolane,
SCHEMBL2199027,
QUNGVZNMYWXZDW-UHFFFAOYSA-N,
MFCD17078851,
AKOS012873653,
DA-13992,
3-(2-bromoethyl)tetrahydrofuran(SALTDATA,
FT-0726680,
Y-7750,
F2147-2598,
94922-03-9,
|
| Complexity | 65.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.057g/mol |
| Monoisotopic Mass | 177.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number