| CAS Number | 7507-88-2 |
| Catalog Number | AG01C82P(AGN-PC-0JMG6L) |
| Chemical Name | 1-(3-Chloro-2-Hydroxy-5-Methylphenyl)Ethan-1-One |
| IUPAC Name | 1-(3-chloro-2-hydroxy-5-methylphenyl)ethanone |
| InChI | InChI=1S/C9H9ClO2/c1-5-3-7(6(2)11)9(12)8(10)4-5/h3-4,12H,1-2H3 |
| InChI Key | XJSBYHFWKLPSOT-UHFFFAOYSA-N |
| MDL Number | MFCD24714040 |
| Molecular Formula | C9H9ClO2 |
| Molecular Weight | 184.6196 |
| NSC Number | 401441 |
| SMILES | ClC=1C(=C(C=C(C1)C)C(C)=O)O |
| Synonyms | 7507-88-2,
1-(3-Chloro-2-hydroxy-5-methylphenyl)ethan-1-one,
NSC401441,
1-(3-chloro-2-hydroxy-5-methylphenyl)ethanone,
AC1L80NH,
SCHEMBL11712068,
DTXSID30322505,
ZINC1594111,
AKOS023626608,
NSC-401441,
3'-Chloro-2'-hydroxy-5'-methylacetophenone,
CID344482,
|
| 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
Certificate of Analysis
Lot Number