| CAS Number | 77008-58-3 |
| Catalog Number | AG005EQE(AGN-PC-00PP9O) |
| Chemical Name | 2,3'-Dichlorobenzophenone |
| IUPAC Name | (2-chlorophenyl)-(3-chlorophenyl)methanone |
| InChI | InChI=1S/C13H8Cl2O/c14-10-5-3-4-9(8-10)13(16)11-6-1-2-7-12(11)15/h1-8H |
| InChI Key | ZOEYPNHFGDABED-UHFFFAOYSA-N |
| MDL Number | MFCD09055155 |
| Molecular Formula | C13H8Cl2O |
| Molecular Weight | 251.1080 |
| SMILES | O=C(C1=CC=CC=C1Cl)C2=CC=CC(Cl)=C2 |
| Synonyms | 2,3'-DICHLOROBENZOPHENONE,
77008-58-3,
(2-Chlorophenyl)(3-chlorophenyl)methanone,
SCHEMBL3179857,
CTK5E3727,
DTXSID40574452,
ZX-CM001781,
MFCD09055155,
ZINC19087658,
AKOS010258672,
AJ-70812,
Y-5000,
4000109-25G,
4000109-50G,
methanone,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.106g/mol |
| Monoisotopic Mass | 249.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number