| CAS Number | 845866-57-1 |
| Catalog Number | AG00G388 |
| Chemical Name | 3-(3-Fluorobenzyloxy)-bromobenzene |
| IUPAC Name | 1-bromo-3-[(3-fluorophenyl)methoxy]benzene |
| InChI | InChI=1S/C13H10BrFO/c14-11-4-2-6-13(8-11)16-9-10-3-1-5-12(15)7-10/h1-8H,9H2 |
| InChI Key | FORGUMWHVBBXQD-UHFFFAOYSA-N |
| MDL Number | MFCD06411668 |
| Molecular Formula | C13H10BrFO |
| Molecular Weight | 281.1203 |
| SMILES | C1C(=CC=CC=1OCC1C=CC=C(F)C=1)Br |
| Synonyms | 3-(3-Fluorobenzyloxy)-bromobenzene,
3-(3-fluorobenzyloxy)bromobenzene,
845866-57-1,
1-bromo-3-[(3-fluorophenyl)methoxy]benzene,
3-bromophenyl-(3-fluorobenzyl)ether,
AC1MBZCD,
SCHEMBL16795515,
CTK7C1922,
DTXSID60374572,
ZINC4255885,
1-bromo-3-(3-fluorobenzyloxy)benzene,
AKOS000202091,
MCULE-9823715802,
1-(3-bromophenoxymethyl)-3-fluorobenzene,
1-Bromo-3-[(3-fluorobenzyl)oxy]benzene,
RT-019414,
3-bromo-1-[(3-fluorophenyl)methoxy]benzene,
ST51042140,
ZINC04255885,
CID2758969,
|
| Complexity | 212 |
| 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