| CAS Number | 890098-18-7 |
| Catalog Number | AG0044RR(AGN-PC-0WCDC5) |
| Chemical Name | 3-Chloro-4'-iodobenzophenone |
| IUPAC Name | (3-chlorophenyl)-(4-iodophenyl)methanone |
| InChI | InChI=1S/C13H8ClIO/c14-11-3-1-2-10(8-11)13(16)9-4-6-12(15)7-5-9/h1-8H |
| InChI Key | NSCIJVCHILXIHI-UHFFFAOYSA-N |
| MDL Number | MFCD02260372 |
| Molecular Formula | C13H8ClIO |
| Molecular Weight | 342.5595 |
| SMILES | ClC1=CC(C(C2=CC=C(I)C=C2)=O)=CC=C1 |
| Synonyms | 3-CHLORO-4'-IODOBENZOPHENONE,
890098-18-7,
SCHEMBL3025938,
CTK5G2210,
DTXSID70641505,
ZINC2392544,
MFCD02260372,
AKOS009338508,
(3-Chlorophenyl)(4-iodophenyl)methanone,
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| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 341.931g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.56g/mol |
| Monoisotopic Mass | 341.931g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number