| CAS Number | 52873-25-3 |
| Catalog Number | AG01FERQ(AGN-PC-0NJD7J) |
| Chemical Name | ethyl 4-chloro-2-hydroxybenzoate |
| EC Number | 610-906-3 |
| IUPAC Name | ethyl 4-chloro-2-hydroxybenzoate |
| InChI | InChI=1S/C9H9ClO3/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h3-5,11H,2H2,1H3 |
| InChI Key | FTBFROUATIILHB-UHFFFAOYSA-N |
| MDL Number | MFCD12178148 |
| Molecular Formula | C9H9ClO3 |
| Molecular Weight | 200.6190 |
| SMILES | CCOC(=O)c1ccc(cc1O)Cl |
| Synonyms | ethyl 4-chloro-2-hydroxybenzoate,
52873-25-3,
4-Chlorosalicylic acid ethyl ester,
ethyl 4-chlorosalicylate,
SCHEMBL3304119,
FTBFROUATIILHB-UHFFFAOYSA-N,
ZINC35101684,
AKOS008949019,
DA-05174,
SC-62093,
FT-0728860,
BENZOIC ACID,4-CHLORO-2-HYDROXY-,ETHYL ESTER,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.618g/mol |
| Monoisotopic Mass | 200.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number