| CAS Number | 215453-86-4 |
| Catalog Number | AG00I46D(AGN-PC-0WOHF8) |
| Chemical Name | 4-(4-Bromobenzyloxy)oxane |
| IUPAC Name | 4-[(4-bromophenyl)methoxy]oxane |
| InChI | InChI=1S/C12H15BrO2/c13-11-3-1-10(2-4-11)9-15-12-5-7-14-8-6-12/h1-4,12H,5-9H2 |
| InChI Key | UEZOWZMPPATEKU-UHFFFAOYSA-N |
| MDL Number | MFCD14687118 |
| Molecular Formula | C12H15BrO2 |
| Molecular Weight | 271.1503 |
| SMILES | Brc1ccc(cc1)COC1CCOCC1 |
| Synonyms | 4-(4-Bromobenzyloxy)oxane,
215453-86-4,
4-((4-Bromobenzyl)oxy)tetrahydro-2H-pyran,
SCHEMBL6436291,
UEZOWZMPPATEKU-UHFFFAOYSA-N,
4-(4-bromobenzyloxy)tetrahydropyran,
ZINC49601216,
4-(4-bromo-benzyloxy)tetrahydropyran,
4-(4-bromo-benzyloxy)-tetrahydropyran,
AKOS010796656,
Y2630,
C12H15BrO2,
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| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.154g/mol |
| Monoisotopic Mass | 270.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number