| CAS Number | 35599-94-1 |
| Catalog Number | AG019ZCT(AGN-PC-0RB408) |
| Chemical Name | 2-(3,5-Dichlorophenyl)-2-hydroxyacetic acid |
| IUPAC Name | 2-(3,5-dichlorophenyl)-2-hydroxyacetic acid |
| InChI | InChI=1S/C8H6Cl2O3/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,7,11H,(H,12,13) |
| InChI Key | MIEFWJKVKNYRRC-UHFFFAOYSA-N |
| MDL Number | MFCD13194311 |
| Molecular Formula | C8H6Cl2O3 |
| Molecular Weight | 221.0374 |
| SMILES | OC(C1=CC(Cl)=CC(Cl)=C1)C(O)=O |
| Synonyms | 2-(3,5-dichlorophenyl)-2-hydroxyacetic acid,
35599-94-1,
3,5-dichloromandelic acid,
SCHEMBL1573246,
AKOS010487935,
MCULE-4632466929,
NE17363,
(3,5-dichlorophenyl)(hydroxy)acetic acid,
BS-12346,
RP27292,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.969399g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.03g/mol |
| Monoisotopic Mass | 219.969399g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number