| CAS Number | 61568-51-2 |
| Catalog Number | AG00EFJ7(AGN-PC-0NFH5C) |
| Chemical Name | 2-(4-Bromophenyl)-1,3-dioxane |
| IUPAC Name | 2-(4-bromophenyl)-1,3-dioxane |
| InChI | InChI=1S/C10H11BrO2/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h2-5,10H,1,6-7H2 |
| InChI Key | HMXWGZTXWOBGOC-UHFFFAOYSA-N |
| MDL Number | MFCD03425343 |
| Molecular Formula | C10H11BrO2 |
| Molecular Weight | 243.0971 |
| SMILES | C1COC(OC1)C2=CC=C(C=C2)Br |
| Synonyms | 2-(4-bromophenyl)-1,3-dioxane,
61568-51-2,
1-Bromo-4-(1,3-Dioxan-2-Yl)Benzene,
SCHEMBL511959,
HMXWGZTXWOBGOC-UHFFFAOYSA-N,
2-(4-bromophenyl)-[1,3]dioxane,
ZINC2581191,
2-(4-bromo-phenyl)-[1,3]dioxane,
AKOS022349902,
AC1Q24RU,
4-Bromobenzaldehyde propylidene acetal,
CID11075643,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.99424g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.1g/mol |
| Monoisotopic Mass | 241.99424g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 18.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number