| CAS Number | 2138518-29-1 |
| Catalog Number | AG01ELNM |
| Chemical Name | 3-amino-4-chloro-5-methoxybenzoic acid hydrochloride |
| IUPAC Name | 3-amino-4-chloro-5-methoxybenzoic acid;hydrochloride |
| InChI | InChI=1S/C8H8ClNO3.ClH/c1-13-6-3-4(8(11)12)2-5(10)7(6)9;/h2-3H,10H2,1H3,(H,11,12);1H |
| InChI Key | LUQOPFPGGLKLHM-UHFFFAOYSA-N |
| MDL Number | MFCD31559027 |
| Molecular Formula | C8H9Cl2NO3 |
| Molecular Weight | 238.068 |
| SMILES | Cl.COC1=C(Cl)C(N)=CC(C(O)=O)=C1 |
| Synonyms | AKOS034119052,
3-amino-4-chloro-5-methoxybenzoic acid hydrochloride,
2138518-29-1,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.064g/mol |
| Monoisotopic Mass | 236.996g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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