| CAS Number | 1296223-82-9 |
| Catalog Number | AG01A26K(AGN-PC-0WCJK0) |
| Chemical Name | Ethyl 2-(4-bromo-3-fluorophenyl)acetate |
| IUPAC Name | ethyl 2-(4-bromo-3-fluorophenyl)acetate |
| InChI | InChI=1S/C10H10BrFO2/c1-2-14-10(13)6-7-3-4-8(11)9(12)5-7/h3-5H,2,6H2,1H3 |
| InChI Key | YZJBHWNZBXGCQK-UHFFFAOYSA-N |
| MDL Number | MFCD19105270 |
| Molecular Formula | C10H10BrFO2 |
| Molecular Weight | 261.0876 |
| SMILES | CCOC(=O)CC1=CC(=C(C=C1)Br)F |
| Synonyms | ethyl 2-(4-bromo-3-fluorophenyl)acetate,
1296223-82-9,
Ethyl (4-Bromo-3-fluorophenyl)acetate,
SCHEMBL16340836,
KS-00003SU3,
MFCD19105270,
ZINC82164619,
AKOS025393767,
MCULE-2947679067,
NE22750,
TS-00836,
4-Bromo-3-fluorophenylacetic acid ethyl ester,
(3-Fluoro-4-bromophenyl)acetic acid ethyl ester,
Z1495385329,
|
| 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 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number