| CAS Number | 1344275-68-8 |
| Catalog Number | AG01BA8S |
| Chemical Name | 3-[(3-Bromophenyl)methoxy]oxolane |
| IUPAC Name | 3-[(3-bromophenyl)methoxy]oxolane |
| InChI | InChI=1S/C11H13BrO2/c12-10-3-1-2-9(6-10)7-14-11-4-5-13-8-11/h1-3,6,11H,4-5,7-8H2 |
| InChI Key | ZEEDJFMPYKOJEI-UHFFFAOYSA-N |
| MDL Number | MFCD18365202 |
| Molecular Formula | C11H13BrO2 |
| Molecular Weight | 257.1237 |
| SMILES | BrC1=CC(COC2COCC2)=CC=C1 |
| Synonyms | 3-[(3-bromophenyl)methoxy]oxolane,
1344275-68-8,
AKOS012868464,
Z2044949123,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.127g/mol |
| Monoisotopic Mass | 256.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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