| CAS Number | 61124-56-9 |
| Catalog Number | AG00F4PC(AGN-PC-0NICSM) |
| Chemical Name | ETHANONE, 1-(4-CHLORO-3-HYDROXYPHENYL)- |
| IUPAC Name | 1-(4-chloro-3-hydroxyphenyl)ethanone |
| InChI | InChI=1S/C8H7ClO2/c1-5(10)6-2-3-7(9)8(11)4-6/h2-4,11H,1H3 |
| InChI Key | ZJRFCVYGGNITQR-UHFFFAOYSA-N |
| MDL Number | MFCD00034670 |
| Molecular Formula | C8H7ClO2 |
| Molecular Weight | 170.5930 |
| SMILES | CC(C1=CC(O)=C(Cl)C=C1)=O |
| Synonyms | 61124-56-9,
1-(4-chloro-3-hydroxyphenyl)ethanone,
Ethanone, 1-(4-chloro-3-hydroxyphenyl)-,
4'-Chloro-3'-hydroxyacetophenone,
1-(4-chloro-3-hydroxyphenyl)ethan-1-one,
Ethanone,1-(4-chloro-3-hydroxyphenyl)-,
SCHEMBL8020903,
CTK5B2733,
DTXSID00484083,
ZINC39200927,
AKOS022178386,
CC-1661,
1-(4-chloro-3-hydroxy-phenyl)-ethanone,
AJ-98991,
NS-01395,
1-(4-chloranyl-3-oxidanyl-phenyl)ethanone,
AM20040855,
A833060,
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| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.592g/mol |
| Monoisotopic Mass | 170.013g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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