| CAS Number | 1506954-36-4 |
| Catalog Number | AG01AD6G(AGN-PC-0WO73W) |
| Chemical Name | 4-(1-bromoethyl)oxane |
| IUPAC Name | 4-(1-bromoethyl)oxane |
| InChI | InChI=1S/C7H13BrO/c1-6(8)7-2-4-9-5-3-7/h6-7H,2-5H2,1H3 |
| InChI Key | WDRQHIKCGHXQRX-UHFFFAOYSA-N |
| MDL Number | MFCD21776224 |
| Molecular Formula | C7H13BrO |
| Molecular Weight | 193.0815 |
| SMILES | CC(C1CCOCC1)Br |
| Synonyms | 4-(1-bromoethyl)oxane,
1506954-36-4,
AKOS015814903,
NE58161,
|
| Complexity | 79 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.084g/mol |
| Monoisotopic Mass | 192.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number