| CAS Number | 3978-66-3 |
| Catalog Number | AG01C4P7(AGN-PC-044DZB) |
| Chemical Name | 3-chloro-5-methylbenzene-1,2-diol |
| IUPAC Name | 3-chloro-5-methylbenzene-1,2-diol |
| InChI | InChI=1S/C7H7ClO2/c1-4-2-5(8)7(10)6(9)3-4/h2-3,9-10H,1H3 |
| InChI Key | SVNSFVRPGDZCMV-UHFFFAOYSA-N |
| MDL Number | MFCD24715843 |
| Molecular Formula | C7H7ClO2 |
| Molecular Weight | 158.5823 |
| SMILES | CC1=CC(Cl)=C(O)C(O)=C1 |
| Synonyms | 3-chloro-5-methylbenzene-1,2-diol,
3-chloro-5-methylcatechol,
3978-66-3,
5-methyl-3-chlorocatechol,
SCHEMBL6841589,
ZINC62235582,
|
| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.581g/mol |
| Monoisotopic Mass | 158.013g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number