| CAS Number | 885949-81-5 |
| Catalog Number | AG00IYNA(AGN-PC-0WAVLK) |
| Chemical Name | 1-(4-((2-Bromo-5-methoxybenzyl)oxy)-3-fluorophenyl)ethanone |
| IUPAC Name | 1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluorophenyl]ethanone |
| InChI | InChI=1S/C16H14BrFO3/c1-10(19)11-3-6-16(15(18)8-11)21-9-12-7-13(20-2)4-5-14(12)17/h3-8H,9H2,1-2H3 |
| InChI Key | DLYPUGYYEIIDPF-UHFFFAOYSA-N |
| MDL Number | MFCD06659574 |
| Molecular Formula | C16H14BrFO3 |
| Molecular Weight | 353.1830 |
| SMILES | [Br]C1(=C(C=C(OC)C=C1)COC2(=C(F)C=C(C(=O)C)C=C2)) |
| Synonyms | 1-{4-[(2-Bromo-5-methoxybenzyl)oxy]-3-fluorophenyl}-1-ethanone,
885949-81-5,
1-(4-((2-Bromo-5-methoxybenzyl)oxy)-3-fluorophenyl)ethanone,
1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluorophenyl]ethanone,
1-{4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluorophenyl}ethanone,
AC1MD41B,
CTK7A0770,
KS-00001Z0H,
ZINC3884181,
MFCD06659574,
AKOS005070922,
bromomethoxybenzyloxyfluorophenylethanone,
RP16909,
AJ-47046,
TR-063709,
6Y-0926,
1-{4-[(2-Bromo-5-methoxybenzyl)oxy]-3-fluorophenyl}ethan-1-one,
1-{4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluorophenyl}ethan-1-one,
ZINC03884181,
CID2783221,
|
| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 352.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.187g/mol |
| Monoisotopic Mass | 352.011g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number