| CAS Number | 116632-43-0 |
| Catalog Number | AG0093N6 |
| Chemical Name | 1-Chloro-3-iodo-5-methyl-benzene |
| IUPAC Name | 1-chloro-3-iodo-5-methylbenzene |
| InChI | InChI=1S/C7H6ClI/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3 |
| InChI Key | LGHIDHQDIWNMEL-UHFFFAOYSA-N |
| MDL Number | MFCD13185456 |
| Molecular Formula | C7H6ClI |
| Molecular Weight | 252.4800 |
| SMILES | Cc1cc(cc(c1)I)Cl |
| Synonyms | 3-Chloro-5-iodotoluene,
116632-43-0,
1-chloro-3-iodo-5-methylbenzene,
SCHEMBL13310150,
1-Chloro-3-iodo-5-methyl-benzene,
MFCD13185456,
ZINC71792235,
AKOS028114908,
AS-36916,
DA-15119,
FT-0727031,
|
| Complexity | 94.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.479g/mol |
| Monoisotopic Mass | 251.92g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number