| CAS Number | 52780-67-3 |
| Catalog Number | AG00DSWK(AGN-PC-0NJRIH) |
| Chemical Name | 4,5-Dichloro-2-methylphenol |
| IUPAC Name | 4,5-dichloro-2-methylphenol |
| InChI | InChI=1S/C7H6Cl2O/c1-4-2-5(8)6(9)3-7(4)10/h2-3,10H,1H3 |
| InChI Key | YPWZTDHXTALQBZ-UHFFFAOYSA-N |
| MDL Number | MFCD18970307 |
| Molecular Formula | C7H6Cl2O |
| Molecular Weight | 177.0279 |
| SMILES | Oc1cc(Cl)c(cc1C)Cl |
| Synonyms | 4,5-Dichloro-2-methylphenol,
52780-67-3,
4,5-dichloro-2-methyl-phenol,
SCHEMBL8351711,
CTK8J0272,
ZINC39259364,
FT-0707221,
Phenol, 4,5-dichloro-2-methyl-,
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| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.024g/mol |
| Monoisotopic Mass | 175.98g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number