| CAS Number | 854259-18-0 |
| Catalog Number | AG01BCFY |
| Chemical Name | 4-bromo-1-((3-chlorobenzyl)oxy)-2-methylbenzene |
| IUPAC Name | 4-bromo-1-[(3-chlorophenyl)methoxy]-2-methylbenzene |
| InChI | InChI=1S/C14H12BrClO/c1-10-7-12(15)5-6-14(10)17-9-11-3-2-4-13(16)8-11/h2-8H,9H2,1H3 |
| InChI Key | IRKHEIJIVFBFGP-UHFFFAOYSA-N |
| MDL Number | MFCD18978213 |
| Molecular Formula | C14H12BrClO |
| Molecular Weight | 311.6015 |
| SMILES | CC1=C(OCC2=CC(Cl)=CC=C2)C=CC(Br)=C1 |
| Synonyms | 4-bromo-1-[(3-chlorophenyl)methoxy]-2-methylbenzene,
854259-18-0,
AKOS012838470,
ZINC110307286,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.603g/mol |
| Monoisotopic Mass | 309.976g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number