| CAS Number | 845866-52-6 |
| Catalog Number | AG00G4J4 |
| Chemical Name | 1-Bromo-3-((4-fluorobenzyl)oxy)benzene |
| IUPAC Name | 1-bromo-3-[(4-fluorophenyl)methoxy]benzene |
| InChI | InChI=1S/C13H10BrFO/c14-11-2-1-3-13(8-11)16-9-10-4-6-12(15)7-5-10/h1-8H,9H2 |
| InChI Key | XDWVGNILIVLUOR-UHFFFAOYSA-N |
| MDL Number | MFCD06411657 |
| Molecular Formula | C13H10BrFO |
| Molecular Weight | 281.1203 |
| SMILES | c1ccc(cc1OCc1ccc(cc1)F)Br |
| Synonyms | 3-(4-Fluorobenzyloxy)-bromobenzene,
845866-52-6,
3-(4-fluorobenzyloxy)bromobenzene,
3-bromophenyl-(4-fluorobenzyl)ether,
1-bromo-3-[(4-fluorophenyl)methoxy]benzene,
AC1MBZCG,
CTK7C0568,
DTXSID20374573,
ZINC4255886,
1-bromo-3-(4-fluorobenzyloxy)benzene,
AKOS000202092,
FS-4347,
MCULE-7567227353,
1-(3-bromophenoxymethyl)-4-fluorobenzene,
RT-019446,
3-bromo-1-[(4-fluorophenyl)methoxy]benzene,
ST51042131,
ZINC04255886,
CID2758970,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.124g/mol |
| Monoisotopic Mass | 279.99g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number