| CAS Number | 854234-91-6 |
| Catalog Number | AG00IMPO |
| Chemical Name | 1,1'-Biphenyl, 3-chloro-3'-iodo- |
| IUPAC Name | 1-chloro-3-(3-iodophenyl)benzene |
| InChI | InChI=1S/C12H8ClI/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H |
| InChI Key | LEAYQFHHIWUKOM-UHFFFAOYSA-N |
| MDL Number | MFCD32206215 |
| Molecular Formula | C12H8ClI |
| Molecular Weight | 314.5494 |
| SMILES | ClC1=CC(=CC=C1)C1=CC(=CC=C1)I |
| Synonyms | 1,1'-Biphenyl, 3-chloro-3'-iodo-,
854234-91-6,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.55g/mol |
| Monoisotopic Mass | 313.936g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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