| CAS Number | 70450-40-7 |
| Catalog Number | AG005UN0(AGN-PC-00L7LN) |
| Chemical Name | 1-Chloro-2-(iodomethyl)benzene |
| IUPAC Name | 1-chloro-2-(iodomethyl)benzene |
| InChI | InChI=1S/C7H6ClI/c8-7-4-2-1-3-6(7)5-9/h1-4H,5H2 |
| InChI Key | KPCFYZMYRPRRND-UHFFFAOYSA-N |
| MDL Number | MFCD00086200 |
| Molecular Formula | C7H6ClI |
| Molecular Weight | 252.4800 |
| SMILES | ClC1=C(CI)C=CC=C1 |
| Synonyms | 1-Chloro-2-(iodomethyl)benzene,
70450-40-7,
Benzene, 1-chloro-2-(iodomethyl)-,
2-chlorobenzyl iodide,
2-Chlorophenylmethyliodide,
SCHEMBL644724,
CTK2H4876,
DTXSID90523319,
KPCFYZMYRPRRND-UHFFFAOYSA-N,
ZINC84844804,
AKOS014116124,
FT-0701882,
A1-08758,
|
| Complexity | 85 |
| 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 | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number