| CAS Number | 1345471-50-2 |
| Catalog Number | AG00HTCC |
| Chemical Name | 2-Benzyloxy-5-bromo-3-chloroanisole |
| IUPAC Name | 5-bromo-1-chloro-3-methoxy-2-phenylmethoxybenzene |
| InChI | InChI=1S/C14H12BrClO2/c1-17-13-8-11(15)7-12(16)14(13)18-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3 |
| InChI Key | PSGRAIZMYQRZSL-UHFFFAOYSA-N |
| MDL Number | MFCD20441879 |
| Molecular Formula | C14H12BrClO2 |
| Molecular Weight | 327.6009 |
| SMILES | COC1=CC(=CC(=C1OCC2=CC=CC=C2)Cl)Br |
| Synonyms | 2-Benzyloxy-5-bromo-3-chloroanisole,
1345471-50-2,
KM4014,
MFCD20441879,
ZINC74937852,
AKOS026672746,
2-(BENZYLOXY)-5-BROMO-1-CHLORO-3-METHOXYBENZENE,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.602g/mol |
| Monoisotopic Mass | 325.971g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number