| CAS Number | 93561-97-8 |
| Catalog Number | AG01E3IB(AGN-PC-0ONNOS) |
| Chemical Name | 3-amino-4-chloro-5-hydroxybenzoic acid |
| IUPAC Name | 3-amino-4-chloro-5-hydroxybenzoic acid |
| InChI | InChI=1S/C7H6ClNO3/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2,10H,9H2,(H,11,12) |
| InChI Key | ACTUKDWAVAPWJI-UHFFFAOYSA-N |
| MDL Number | MFCD20654341 |
| Molecular Formula | C7H6ClNO3 |
| Molecular Weight | 187.5804 |
| SMILES | NC1=C(Cl)C(O)=CC(C(O)=O)=C1 |
| Synonyms | 3-amino-4-chloro-5-hydroxybenzoic acid,
93561-97-8,
SCHEMBL18677631,
AKOS034170855,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.579g/mol |
| Monoisotopic Mass | 187.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number