| CAS Number | 1210749-61-3 |
| Catalog Number | AG01C3O4 |
| Chemical Name | 5-chloro-2-hydroxy-3-methylbenzonitrile |
| IUPAC Name | 5-chloro-2-hydroxy-3-methylbenzonitrile |
| InChI | InChI=1S/C8H6ClNO/c1-5-2-7(9)3-6(4-10)8(5)11/h2-3,11H,1H3 |
| InChI Key | SIQPPKKBRKKJRN-UHFFFAOYSA-N |
| MDL Number | MFCD24729482 |
| Molecular Formula | C8H6ClNO |
| Molecular Weight | 167.5923 |
| SMILES | CC1=C(O)C(C#N)=CC(Cl)=C1 |
| Synonyms | 5-chloro-2-hydroxy-3-methylbenzonitrile,
1210749-61-3,
AKOS033870144,
ZINC225286645,
Z2350907423,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.592g/mol |
| Monoisotopic Mass | 167.014g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number