| CAS Number | 78710-01-7 |
| Catalog Number | AG00IV03(AGN-PC-0WB0YT) |
| Chemical Name | 2,2-Dichloro-1-(2,6-dichlorophenyl)-1-ethanone |
| IUPAC Name | 2,2-dichloro-1-(2,6-dichlorophenyl)ethanone |
| InChI | InChI=1S/C8H4Cl4O/c9-4-2-1-3-5(10)6(4)7(13)8(11)12/h1-3,8H |
| InChI Key | AQQDUAHWJYDXIZ-UHFFFAOYSA-N |
| MDL Number | MFCD05669294 |
| Molecular Formula | C8H4Cl4O |
| Molecular Weight | 257.9288 |
| SMILES | ClC1(=C(C(Cl)=CC=C1)C(=O)C(Cl)Cl) |
| Synonyms | 2,2-dichloro-1-(2,6-dichlorophenyl)-1-ethanone,
78710-01-7,
2,2-dichloro-1-(2,6-dichlorophenyl)ethan-1-one,
AC1MWC4V,
KS-000027UJ,
ZINC4105309,
MFCD05669294,
AKOS005109031,
MCULE-6804784246,
MS-0779,
2,2-dichloro-1-(2,6-dichlorophenyl)ethanone,
ZINC04105309,
CID3697161,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.899g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.919g/mol |
| Monoisotopic Mass | 255.902g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number