| CAS Number | 99847-66-2 |
| Catalog Number | AG003W77(AGN-PC-04Q14K) |
| Chemical Name | 4'-Chloro-2-iodobenzophenone |
| IUPAC Name | (4-chlorophenyl)-(2-iodophenyl)methanone |
| InChI | InChI=1S/C13H8ClIO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H |
| InChI Key | SIZXQQBPUBGFCC-UHFFFAOYSA-N |
| MDL Number | MFCD02260367 |
| Molecular Formula | C13H8ClIO |
| Molecular Weight | 342.5595 |
| SMILES | ClC1=CC=C(C(C2=C(I)C=CC=C2)=O)C=C1 |
| Synonyms | 4'-CHLORO-2-IODOBENZOPHENONE,
99847-66-2,
C13H8ClIO,
(4-Chlorophenyl)(2-iodophenyl)methanone,
A1-00057,
CTK5I0727,
DTXSID30641501,
ZINC2392537,
4729AF,
MFCD02260367,
AKOS009339248,
Methanone, (4-chlorophenyl)(2-iodophenyl)-,
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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 | 4.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number