| CAS Number | 1247385-45-0 |
| Catalog Number | AG009WXZ |
| Chemical Name | 4-[(3-Bromophenyl)methoxy]oxane |
| IUPAC Name | 4-[(3-bromophenyl)methoxy]oxane |
| InChI | InChI=1S/C12H15BrO2/c13-11-3-1-2-10(8-11)9-15-12-4-6-14-7-5-12/h1-3,8,12H,4-7,9H2 |
| InChI Key | DPOCEJRZGUDMKR-UHFFFAOYSA-N |
| MDL Number | MFCD14687120 |
| Molecular Formula | C12H15BrO2 |
| Molecular Weight | 271.1503 |
| SMILES | Brc1cccc(c1)COC1CCOCC1 |
| Synonyms | 4-[(3-bromophenyl)methoxy]oxane,
1247385-45-0,
SCHEMBL19212300,
ZINC49601220,
AKOS006150383,
Z8829,
C12H15BrO2,
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| Complexity | 181 |
| 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