| CAS Number | 70450-41-8 |
| Catalog Number | AG005UMZ(AGN-PC-0NCP2M) |
| Chemical Name | 1-Chloro-3-(iodomethyl)benzene |
| IUPAC Name | 1-chloro-3-(iodomethyl)benzene |
| InChI | InChI=1S/C7H6ClI/c8-7-3-1-2-6(4-7)5-9/h1-4H,5H2 |
| InChI Key | FKAPOYYRUVEGPE-UHFFFAOYSA-N |
| MDL Number | MFCD20415080 |
| Molecular Formula | C7H6ClI |
| Molecular Weight | 252.4800 |
| SMILES | ClC1=CC(CI)=CC=C1 |
| Synonyms | 1-chloro-3-(iodomethyl)benzene,
70450-41-8,
Benzene, 1-chloro-3-(iodomethyl)-,
SCHEMBL6663215,
1-(Iodomethyl)-3-chlorobenzene,
CTK2H4875,
DTXSID40448144,
ZINC82880526,
AKOS014115899,
FT-0727510,
CID10912029,
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| 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 | 3.9 |
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Certificate of Analysis
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