| CAS Number | 50343-12-9 |
| Catalog Number | AG01B8WH(AGN-PC-00LD94) |
| Chemical Name | 1-(5-Chloro-2-hydroxy-3-methylphenyl)ethan-1-one |
| IUPAC Name | 1-(5-chloro-2-hydroxy-3-methylphenyl)ethanone |
| InChI | InChI=1S/C9H9ClO2/c1-5-3-7(10)4-8(6(2)11)9(5)12/h3-4,12H,1-2H3 |
| InChI Key | VDHSOXMNRWSQTC-UHFFFAOYSA-N |
| MDL Number | MFCD16742828 |
| Molecular Formula | C9H9ClO2 |
| Molecular Weight | 184.6196 |
| SMILES | CC(C1=CC(Cl)=CC(C)=C1O)=O |
| Synonyms | 50343-12-9,
1-(5-Chloro-2-hydroxy-3-methylphenyl)ethan-1-one,
1-(5-chloro-2-hydroxy-3-methylphenyl)ethanone,
1-(5-chloro-2-hydroxy-3-methyl-phenyl)-ethanone,
SCHEMBL10469179,
CTK1G6937,
DTXSID50526008,
VDHSOXMNRWSQTC-UHFFFAOYSA-N,
2-Acetyl-4-chloro-6-methylphenol,
ZINC39418018,
AKOS011655147,
Ethanone, 1-(5-chloro-2-hydroxy-3-methylphenyl)-,
Z2130642941,
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.619g/mol |
| Monoisotopic Mass | 184.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number