| CAS Number | 27700-44-3 |
| Catalog Number | AG01C5OK(AGN-PC-0MYGMY) |
| Chemical Name | 2,2-Dichloro-1-(3-nitrophenyl)ethan-1-one |
| IUPAC Name | 2,2-dichloro-1-(3-nitrophenyl)ethanone |
| InChI | InChI=1S/C8H5Cl2NO3/c9-8(10)7(12)5-2-1-3-6(4-5)11(13)14/h1-4,8H |
| InChI Key | PEFXMYNGSFPNPC-UHFFFAOYSA-N |
| MDL Number | MFCD29991453 |
| Molecular Formula | C8H5Cl2NO3 |
| Molecular Weight | 234.0362 |
| SMILES | [O-][N+](C1=CC(C(C(Cl)Cl)=O)=CC=C1)=O |
| Synonyms | 2,2-dichloro-1-(3-nitrophenyl)ethan-1-one,
27700-44-3,
ZINC80170666,
3'-Nitro-alpha,alpha-dichloroacetophenone,
2,2-dichloro-1-(3-nitrophenyl)ethanone,
CID10082743,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.032g/mol |
| Monoisotopic Mass | 232.965g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number