| CAS Number | 111511-48-9 |
| Catalog Number | AG01B6LP(AGN-PC-0NXOGK) |
| Chemical Name | 4-(Bromomethyl)-4-ethoxyoxane |
| IUPAC Name | 4-(bromomethyl)-4-ethoxyoxane |
| InChI | InChI=1S/C8H15BrO2/c1-2-11-8(7-9)3-5-10-6-4-8/h2-7H2,1H3 |
| InChI Key | ODVBRXKTAYDZPQ-UHFFFAOYSA-N |
| MDL Number | MFCD30344934 |
| Molecular Formula | C8H15BrO2 |
| Molecular Weight | 223.1075 |
| SMILES | CCOC1(CCOCC1)CBr |
| Synonyms | 4-(bromomethyl)-4-ethoxyoxane,
111511-48-9,
ZINC157946918,
4-(bromomethyl)-4-ethoxytetrahydro-2H-pyran,
|
| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.11g/mol |
| Monoisotopic Mass | 222.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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