| CAS Number | 20600-29-7 |
| Catalog Number | AG002AGR(AGN-PC-0WOFBS) |
| Chemical Name | 1-Bromo-3-(phenoxymethyl)benzene |
| IUPAC Name | 1-bromo-3-(phenoxymethyl)benzene |
| InChI | InChI=1S/C13H11BrO/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-9H,10H2 |
| InChI Key | ZTDWIISWPAVUOU-UHFFFAOYSA-N |
| MDL Number | MFCD07782514 |
| Molecular Formula | C13H11BrO |
| Molecular Weight | 263.1298 |
| SMILES | BrC1=CC=CC(COC2=CC=CC=C2)=C1 |
| Synonyms | 1-bromo-3-(phenoxymethyl)benzene,
20600-29-7,
3-Bromobenzyl phenyl ether,
[(3-bromophenyl)methoxy]benzene,
SCHEMBL13469158,
CTK4E4638,
DTXSID10594667,
MFCD07782514,
SBB102632,
ZINC12370748,
AKOS008951191,
Benzene, 1-bromo-3-(phenoxymethyl)-,
MCULE-6163269791,
NE13719,
I14-56801,
Z54590163,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.134g/mol |
| Monoisotopic Mass | 261.999g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number