| CAS Number | 129511-06-4 |
| Catalog Number | AG0072NT(AGN-PC-002WJL) |
| Chemical Name | Benzoic acid, 4-amino-5-chloro-2-hydroxy-, methyl ester |
| IUPAC Name | methyl 4-amino-5-chloro-2-hydroxybenzoate |
| InChI | InChI=1S/C8H8ClNO3/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3,11H,10H2,1H3 |
| InChI Key | SXMFZXQWMHJMOH-UHFFFAOYSA-N |
| MDL Number | MFCD24387293 |
| Molecular Formula | C8H8ClNO3 |
| Molecular Weight | 201.6070 |
| SMILES | NC1=CC(=C(C(=O)OC)C=C1Cl)O |
| Synonyms | methyl 4-amino-5-chloro-2-hydroxybenzoate,
129511-06-4,
Benzoic acid, 4-amino-5-chloro-2-hydroxy-, methyl ester,
4-amino-5-chloro-2-hydroxybenzoic acid methyl ester,
ACMC-20mt9y,
SCHEMBL3566173,
CTK0C1476,
DTXSID90564984,
methyl 4-amino-5-chlorosalicylate,
SXMFZXQWMHJMOH-UHFFFAOYSA-N,
MFCD24387293,
ZINC34404839,
AKOS024210143,
SY214679,
MFCD24387293 (95%),
4-Amino-5-chloro-2-hydroxybenzoic acid, methyl ester,
Z2473348323,
|
| 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 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number