| CAS Number | 67303-47-3 |
| Catalog Number | AG005PEU(AGN-PC-0NJAYN) |
| Chemical Name | 2-Amino-6-chloro-3-methoxybenzoic acid |
| IUPAC Name | 2-amino-6-chloro-3-methoxybenzoic acid |
| InChI | InChI=1S/C8H8ClNO3/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3H,10H2,1H3,(H,11,12) |
| InChI Key | PYXKVCKQZJCFTF-UHFFFAOYSA-N |
| MDL Number | MFCD12149018 |
| Molecular Formula | C8H8ClNO3 |
| Molecular Weight | 201.6070 |
| SMILES | COC1=C(N)C(C(O)=O)=C(Cl)C=C1 |
| Synonyms | 2-amino-6-chloro-3-methoxybenzoic acid,
67303-47-3,
Benzoic acid, 2-amino-6-chloro-3-methoxy-,
AC1Q45MA,
SCHEMBL10581550,
CTK1J3641,
DTXSID20501549,
ZINC37395765,
AKOS005133218,
MCULE-1076089500,
NE62668,
EN300-62237,
Z228589672,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.606g/mol |
| Monoisotopic Mass | 201.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number