| CAS Number | 1492081-27-2 |
| Catalog Number | AG01BCKP |
| Chemical Name | 1-bromo-4-[(3-chlorophenyl)methoxy]-2-fluorobenzene |
| IUPAC Name | 1-bromo-4-[(3-chlorophenyl)methoxy]-2-fluorobenzene |
| InChI | InChI=1S/C13H9BrClFO/c14-12-5-4-11(7-13(12)16)17-8-9-2-1-3-10(15)6-9/h1-7H,8H2 |
| InChI Key | BQUDOPKBVAZIPH-UHFFFAOYSA-N |
| MDL Number | MFCD20975648 |
| Molecular Formula | C13H9BrClFO |
| Molecular Weight | 315.5654 |
| SMILES | FC1=C(Br)C=CC(OCC2=CC(Cl)=CC=C2)=C1 |
| Synonyms | 1-bromo-4-[(3-chlorophenyl)methoxy]-2-fluorobenzene,
1492081-27-2,
ZINC87437717,
AKOS014536806,
Z2211246634,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.566g/mol |
| Monoisotopic Mass | 313.951g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number