| CAS Number | 917023-04-2 |
| Catalog Number | AG00H50B(AGN-PC-0BU0WP) |
| Chemical Name | Methyl 2-(4-chloro-2-fluorophenyl)acetate |
| IUPAC Name | methyl 2-(4-chloro-2-fluorophenyl)acetate |
| InChI | InChI=1S/C9H8ClFO2/c1-13-9(12)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4H2,1H3 |
| InChI Key | BXJHRIVXFGIFQG-UHFFFAOYSA-N |
| MDL Number | MFCD12024980 |
| Molecular Formula | C9H8ClFO2 |
| Molecular Weight | 202.61 |
| SMILES | O(C)C(CC1C=CC(Cl)=CC=1F)=O |
| Synonyms | Methyl 2-(4-chloro-2-fluorophenyl)acetate,
917023-04-2,
methyl (4-chloro-2-fluorophenyl)acetate,
SCHEMBL1525187,
DTXSID30726488,
BXJHRIVXFGIFQG-UHFFFAOYSA-N,
ZINC95147722,
DA-01156,
FT-0748807,
(4-chloro-2-fluoro-phenyl)-acetic Acid Methyl Ester,
Benzeneacetic acid, 4-chloro-2-fluoro-, methyl ester,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.609g/mol |
| Monoisotopic Mass | 202.02g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number