| CAS Number | 1239783-16-4 |
| Catalog Number | AG01FR3B(AGN-PC-3H5PF7) |
| Chemical Name | Methyl 4,5-dichloro-2-methoxybenzoate |
| IUPAC Name | methyl 4,5-dichloro-2-methoxybenzoate |
| InChI | InChI=1S/C9H8Cl2O3/c1-13-8-4-7(11)6(10)3-5(8)9(12)14-2/h3-4H,1-2H3 |
| InChI Key | JNYABXQGKADMCQ-UHFFFAOYSA-N |
| MDL Number | MFCD16873027 |
| Molecular Formula | C9H8Cl2O3 |
| Molecular Weight | 235.0640 |
| SMILES | ClC1=CC(=C(C(=O)OC)C=C1Cl)OC |
| Synonyms | methyl 4,5-dichloro-2-methoxybenzoate,
1239783-16-4,
SCHEMBL7419408,
JNYABXQGKADMCQ-UHFFFAOYSA-N,
STL507852,
ZINC45957406,
AKOS005147217,
DB-112931,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.98505g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.06g/mol |
| Monoisotopic Mass | 233.98505g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number