| CAS Number | 1555855-22-5 |
| Catalog Number | AG01DVNJ |
| Chemical Name | 5-Chloro-4-hydroxy-2-methylbenzoic acid |
| IUPAC Name | 5-chloro-4-hydroxy-2-methylbenzoic acid |
| InChI | InChI=1S/C8H7ClO3/c1-4-2-7(10)6(9)3-5(4)8(11)12/h2-3,10H,1H3,(H,11,12) |
| InChI Key | RSBLFGDBRKECAV-UHFFFAOYSA-N |
| MDL Number | MFCD22414687 |
| Molecular Formula | C8H7ClO3 |
| Molecular Weight | 186.5924 |
| SMILES | CC1=C(C(O)=O)C=C(Cl)C(O)=C1 |
| Synonyms | 5-chloro-4-hydroxy-2-methylbenzoic acid,
1555855-22-5,
SCHEMBL18703608,
AKOS023780713,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.591g/mol |
| Monoisotopic Mass | 186.008g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number