| CAS Number | 55954-24-0 |
| Catalog Number | AG00DLWW(AGN-PC-0HADP0) |
| Chemical Name | (3,5-Dichloro-phenyl)-acetic acid methyl ester |
| IUPAC Name | methyl 2-(3,5-dichlorophenyl)acetate |
| InChI | InChI=1S/C9H8Cl2O2/c1-13-9(12)4-6-2-7(10)5-8(11)3-6/h2-3,5H,4H2,1H3 |
| InChI Key | ZKVZUSKNUTWXHC-UHFFFAOYSA-N |
| MDL Number | MFCD23098647 |
| Molecular Formula | C9H8Cl2O2 |
| Molecular Weight | 219.0646 |
| SMILES | COC(CC1=CC(Cl)=CC(Cl)=C1)=O |
| Synonyms | methyl 2-(3,5-dichlorophenyl)acetate,
55954-24-0,
Benzeneacetic acid, 3,5-dichloro-, methyl ester,
SCHEMBL1873789,
methyl 3,5-dichlorophenylacetate,
methyl 3,5-dichlorobenzeneacetate,
ZKVZUSKNUTWXHC-UHFFFAOYSA-N,
Methyl (3,5-dichloro)-phenylacetate,
ZINC117388298,
FT-0730209,
(3,5-dichloro-phenyl)-acetic acid methyl ester,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.061g/mol |
| Monoisotopic Mass | 217.99g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number