| CAS Number | 1050496-64-4 |
| Catalog Number | AG01FQE6(AGN-PC-0WALOA) |
| Chemical Name | 3-(2-Bromoethyl)tetrahydro-2H-pyran |
| IUPAC Name | 3-(2-bromoethyl)oxane |
| InChI | InChI=1S/C7H13BrO/c8-4-3-7-2-1-5-9-6-7/h7H,1-6H2 |
| InChI Key | BUZZBFQYYPWQMQ-UHFFFAOYSA-N |
| MDL Number | MFCD20432702 |
| Molecular Formula | C7H13BrO |
| Molecular Weight | 193.0815 |
| SMILES | BrCCC1COCCC1 |
| Synonyms | 3-(2-Bromoethyl)tetrahydro-2H-pyran,
1050496-64-4,
3-(2-bromoethyl)oxane,
SCHEMBL1919586,
BUZZBFQYYPWQMQ-UHFFFAOYSA-N,
3-(2-Bromo-ethyl)-tetrahydro-pyran,
AKOS014196905,
DA-25391,
FT-0725626,
|
| Complexity | 75.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.01498g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.08g/mol |
| Monoisotopic Mass | 192.01498g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number