| CAS Number | 1247605-97-5 |
| Catalog Number | AG01B5S5 |
| Chemical Name | ethyl 2-amino-4-chloro-3-methoxybenzoate |
| IUPAC Name | ethyl 2-amino-4-chloro-3-methoxybenzoate |
| InChI | InChI=1S/C10H12ClNO3/c1-3-15-10(13)6-4-5-7(11)9(14-2)8(6)12/h4-5H,3,12H2,1-2H3 |
| InChI Key | APAHDZXAQRCRLS-UHFFFAOYSA-N |
| MDL Number | MFCD14652881 |
| Molecular Formula | C10H12ClNO3 |
| Molecular Weight | 229.6602 |
| SMILES | CCOC(C1=C(N)C(OC)=C(Cl)C=C1)=O |
| Synonyms | ethyl 2-amino-4-chloro-3-methoxybenzoate,
1247605-97-5,
ZINC42391849,
AKOS010633182,
Z2215160781,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.66g/mol |
| Monoisotopic Mass | 229.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number