| CAS Number | 1035262-89-5 |
| Catalog Number | AG0093QM(AGN-PC-0WRA0L) |
| Chemical Name | (4-Chloro-3-fluorophenyl)acetic acid methyl ester |
| IUPAC Name | methyl 2-(4-chloro-3-fluorophenyl)acetate |
| InChI | InChI=1S/C9H8ClFO2/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3 |
| InChI Key | CHIFGWQBSUHXMZ-UHFFFAOYSA-N |
| MDL Number | MFCD11110082 |
| Molecular Formula | C9H8ClFO2 |
| Molecular Weight | 202.6100 |
| SMILES | ClC1=C(C=C(C=C1)CC(=O)OC)F |
| Synonyms | 1035262-89-5,
METHYL 2-(4-CHLORO-3-FLUOROPHENYL)ACETATE,
(4-Chloro-3-fluorophenyl)acetic acid methyl ester,
SCHEMBL1626604,
DTXSID40697519,
CHIFGWQBSUHXMZ-UHFFFAOYSA-N,
ZINC95728952,
AKOS027392888,
Methyl (4-chloro-3-fluorophenyl)acetate,
SC-55476,
Benzeneacetic acid,4-chloro-3-fluoro-,methyl ester,
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| 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
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Certificate of Analysis
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