| CAS Number | 1257107-61-1 |
| Catalog Number | AG00HIFV(AGN-PC-0WRAEB) |
| Chemical Name | 3-(4-Bromo-2-fluoro-phenyl)-propionic acid methyl ester |
| IUPAC Name | methyl 3-(4-bromo-2-fluorophenyl)propanoate |
| InChI | InChI=1S/C10H10BrFO2/c1-14-10(13)5-3-7-2-4-8(11)6-9(7)12/h2,4,6H,3,5H2,1H3 |
| InChI Key | YVMPMQXVOMBNQA-UHFFFAOYSA-N |
| MDL Number | MFCD18398780 |
| Molecular Formula | C10H10BrFO2 |
| Molecular Weight | 261.0876 |
| SMILES | COC(=O)CCc1ccc(cc1F)Br |
| Synonyms | methyl 3-(4-bromo-2-fluorophenyl)propanoate,
1257107-61-1,
SCHEMBL2130306,
ZINC97756789,
3-(4-Bromo-2-fluoro-phenyl)-propionic acid methyl ester,
methyl 3-(4'-bromo-2'-fluorophenyl)propionate,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.09g/mol |
| Monoisotopic Mass | 259.985g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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