| CAS Number | 55736-71-5 |
| Catalog Number | AG01A9Q8(AGN-PC-000MD9) |
| Chemical Name | 1-(3,4-Dichloro-2-hydroxyphenyl)ethan-1-one |
| IUPAC Name | 1-(3,4-dichloro-2-hydroxyphenyl)ethanone |
| InChI | InChI=1S/C8H6Cl2O2/c1-4(11)5-2-3-6(9)7(10)8(5)12/h2-3,12H,1H3 |
| InChI Key | IAPWSRGXLFGVQR-UHFFFAOYSA-N |
| MDL Number | MFCD16817427 |
| Molecular Formula | C8H6Cl2O2 |
| Molecular Weight | 205.0380 |
| SMILES | CC(C1=C(O)C(Cl)=C(Cl)C=C1)=O |
| Synonyms | 1-(3,4-dichloro-2-hydroxyphenyl)ethan-1-one,
55736-71-5,
1-(3,4-Dichloro-2-hydroxyphenyl)ethanone,
Ethanone, 1-(3,4-dichloro-2-hydroxyphenyl)-,
AC1Q1JHP,
SCHEMBL9501959,
CTK1E2426,
DTXSID00556991,
ZINC34241621,
AKOS005363285,
MCULE-6486927451,
NE33561,
EN300-65809,
Z1250100683,
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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 | 203.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.034g/mol |
| Monoisotopic Mass | 203.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number