| CAS Number | 84228-48-8 |
| Catalog Number | AG00G9CQ(AGN-PC-0WOJG4) |
| Chemical Name | Methyl 5-amino-2,4-dichlorobenzoate |
| IUPAC Name | methyl 5-amino-2,4-dichlorobenzoate |
| InChI | InChI=1S/C8H7Cl2NO2/c1-13-8(12)4-2-7(11)6(10)3-5(4)9/h2-3H,11H2,1H3 |
| InChI Key | WRCAZCJSGABHIT-UHFFFAOYSA-N |
| MDL Number | MFCD17276520 |
| Molecular Formula | C8H7Cl2NO2 |
| Molecular Weight | 220.0527 |
| SMILES | NC=1C(=CC(=C(C(=O)OC)C1)Cl)Cl |
| Synonyms | methyl 5-amino-2,4-dichlorobenzoate,
84228-48-8,
5-Amino-2,4-dichloro-benzoic acid methyl ester,
SCHEMBL1787222,
WRCAZCJSGABHIT-UHFFFAOYSA-N,
ZINC62350356,
AKOS012321411,
Z-9269,
Benzoic acid, 5-amino-2,4-dichloro-, methyl ester,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.049g/mol |
| Monoisotopic Mass | 218.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number