| CAS Number | 1807013-25-7 |
| Catalog Number | AG00AT2Q(AGN-PC-0WQY7V) |
| Chemical Name | 4-AMINO-2,3-DICHLORO-BENZOIC ACID METHYL ESTER |
| IUPAC Name | methyl 4-amino-2,3-dichlorobenzoate |
| InChI | InChI=1S/C8H7Cl2NO2/c1-13-8(12)4-2-3-5(11)7(10)6(4)9/h2-3H,11H2,1H3 |
| InChI Key | GRCMPRIJWCTEMT-UHFFFAOYSA-N |
| MDL Number | MFCD28722226 |
| Molecular Formula | C8H7Cl2NO2 |
| Molecular Weight | 220.0527 |
| SMILES | COC(=O)c1ccc(c(c1Cl)Cl)N |
| Synonyms | 4-Amino-2,3-dichloro-benzoic acid methyl ester,
1807013-25-7,
Methyl 4-amino-2,3-dichlorobenzoate,
SCHEMBL17071998,
MFCD28722226,
CS-0047051,
|
| 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