| CAS Number | 75717-53-2 |
| Catalog Number | AG00ICNU(AGN-PC-0NIWIZ) |
| Chemical Name | Ethanone, 2-chloro-1-(2-hydroxy-5-methoxyphenyl)- |
| IUPAC Name | 2-chloro-1-(2-hydroxy-5-methoxyphenyl)ethanone |
| InChI | InChI=1S/C9H9ClO3/c1-13-6-2-3-8(11)7(4-6)9(12)5-10/h2-4,11H,5H2,1H3 |
| InChI Key | XDJYHQZFRFJSSV-UHFFFAOYSA-N |
| MDL Number | MFCD00032567 |
| Molecular Formula | C9H9ClO3 |
| Molecular Weight | 200.6190 |
| SMILES | ClCC(=O)C1=C(C=CC(=C1)OC)O |
| Synonyms | 2-chloro-1-(2-hydroxy-5-methoxyphenyl)ethanone,
75717-53-2,
2-chloro-1-(2-hydroxy-5-methoxyphenyl)-ethanone,
SCHEMBL13172388,
MFCD00032567,
ZINC71455042,
AKOS000112377,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.618g/mol |
| Monoisotopic Mass | 200.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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