| CAS Number | 859777-31-4 |
| Catalog Number | AG00IDU7(AGN-PC-0WOJL6) |
| Chemical Name | 1-Bromo-3-(4-chlorophenoxymethyl)benzene |
| IUPAC Name | 1-bromo-3-[(4-chlorophenoxy)methyl]benzene |
| InChI | InChI=1S/C13H10BrClO/c14-11-3-1-2-10(8-11)9-16-13-6-4-12(15)5-7-13/h1-8H,9H2 |
| InChI Key | USWBOCNFGYIJCD-UHFFFAOYSA-N |
| MDL Number | MFCD07782529 |
| Molecular Formula | C13H10BrClO |
| Molecular Weight | 297.5749 |
| SMILES | BrC1=CC=CC(=C1)COC1C=CC(=CC=1)Cl |
| Synonyms | 859777-31-4,
3-Bromobenzyl-(4-chlorophenyl)ether,
1-BROMO-3-(4-CHLOROPHENOXYMETHYL)BENZENE,
1-Bromo-3-((4-chlorophenoxy)methyl)benzene,
SCHEMBL16795800,
ZINC70238181,
AKOS008951153,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.576g/mol |
| Monoisotopic Mass | 295.96g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number