| CAS Number | 412318-90-2 |
| Catalog Number | AG00I82L(AGN-PC-0HAKDR) |
| Chemical Name | 4,5-Dichloro-2-(hydroxymethyl)phenol |
| IUPAC Name | 4,5-dichloro-2-(hydroxymethyl)phenol |
| InChI | InChI=1S/C7H6Cl2O2/c8-5-1-4(3-10)7(11)2-6(5)9/h1-2,10-11H,3H2 |
| InChI Key | RAAPICGPSWVAPY-UHFFFAOYSA-N |
| MDL Number | MFCD28505914 |
| Molecular Formula | C7H6Cl2O2 |
| Molecular Weight | 193.0273 |
| SMILES | OCC1=C(O)C=C(Cl)C(Cl)=C1 |
| Synonyms | 4,5-Dichloro-2-(hydroxymethyl)phenol,
412318-90-2,
SCHEMBL1903236,
ZINC117478506,
Benzenemethanol, 4,5-dichloro-2-hydroxy-,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.023g/mol |
| Monoisotopic Mass | 191.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number