| CAS Number | 1909318-61-1 |
| Catalog Number | AG01C2ZW |
| Chemical Name | 1-(2-bromophenyl)-7-oxabicyclo[4.1.0]heptane |
| IUPAC Name | 1-(2-bromophenyl)-7-oxabicyclo[4.1.0]heptane |
| InChI | InChI=1S/C12H13BrO/c13-10-6-2-1-5-9(10)12-8-4-3-7-11(12)14-12/h1-2,5-6,11H,3-4,7-8H2 |
| InChI Key | LFDBJYOWBFFESF-UHFFFAOYSA-N |
| MDL Number | MFCD29060325 |
| Molecular Formula | C12H13BrO |
| Molecular Weight | 253.1350 |
| SMILES | BrC1=C(C23OC2CCCC3)C=CC=C1 |
| Synonyms | 1-(2-bromophenyl)-7-oxabicyclo[4.1.0]heptane,
1909318-61-1,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.139g/mol |
| Monoisotopic Mass | 252.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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