| CAS Number | 1096852-55-9 |
| Catalog Number | AG01ACIH |
| Chemical Name | methyl 4-(4-bromo-2-fluorophenoxy)butanoate |
| IUPAC Name | methyl 4-(4-bromo-2-fluorophenoxy)butanoate |
| InChI | InChI=1S/C11H12BrFO3/c1-15-11(14)3-2-6-16-10-5-4-8(12)7-9(10)13/h4-5,7H,2-3,6H2,1H3 |
| InChI Key | QZJFQHBBSKMCFF-UHFFFAOYSA-N |
| MDL Number | MFCD12168414 |
| Molecular Formula | C11H12BrFO3 |
| Molecular Weight | 291.1136 |
| SMILES | COC(CCCOC1=C(F)C=C(Br)C=C1)=O |
| Synonyms | methyl 4-(4-bromo-2-fluorophenoxy)butanoate,
1096852-55-9,
ZINC37286875,
AKOS009489177,
NE17809,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.116g/mol |
| Monoisotopic Mass | 289.995g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number