| CAS Number | 845866-76-4 |
| Catalog Number | AG00G476 |
| Chemical Name | 2-((4-Bromobenzyl)oxy)-1,4-difluorobenzene |
| IUPAC Name | 2-[(4-bromophenyl)methoxy]-1,4-difluorobenzene |
| InChI | InChI=1S/C13H9BrF2O/c14-10-3-1-9(2-4-10)8-17-13-7-11(15)5-6-12(13)16/h1-7H,8H2 |
| InChI Key | MUUQHABDOBAXLN-UHFFFAOYSA-N |
| MDL Number | MFCD06657948 |
| Molecular Formula | C13H9BrF2O |
| Molecular Weight | 299.1108 |
| SMILES | C1=C(F)C=CC(F)=C1OCC1C=CC(Br)=CC=1 |
| Synonyms | 1-(4-Bromobenzyloxy)-2,5-difluorobenzene,
845866-76-4,
2-((4-Bromobenzyl)oxy)-1,4-difluorobenzene,
2-[(4-bromophenyl)methoxy]-1,4-difluorobenzene,
AC1MC4BK,
CTK5I7433,
DTXSID30375591,
ZINC4290327,
AKOS006180255,
2-(4-bromobenzyloxy)-1,4-difluorobenzene,
DB-017277,
FT-0713662,
ST51042187,
ZINC04290327,
CID2761162,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.115g/mol |
| Monoisotopic Mass | 297.98g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number