| CAS Number | 186583-59-5 |
| Catalog Number | AG0075LG(AGN-PC-0JPCWX) |
| Chemical Name | Benzene, 1-iodo-2-methoxy-4-methyl- |
| IUPAC Name | 1-iodo-2-methoxy-4-methylbenzene |
| InChI | InChI=1S/C8H9IO/c1-6-3-4-7(9)8(5-6)10-2/h3-5H,1-2H3 |
| InChI Key | LVDHTYMXUHPTOP-UHFFFAOYSA-N |
| MDL Number | MFCD12547792 |
| Molecular Formula | C8H9IO |
| Molecular Weight | 248.0609 |
| NSC Number | 158995 |
| SMILES | COC1=CC(C)=CC=C1I |
| Synonyms | 2-Iodo-5-methylanisole,
1-iodo-2-methoxy-4-methylbenzene,
186583-59-5,
Benzene, 1-iodo-2-methoxy-4-methyl-,
NSC158995,
AC1L6ITL,
3-Methoxy-4-iodotoluene,
SCHEMBL9937350,
CTK0E2224,
DTXSID10303539,
ZINC1606227,
NSC-158995,
CID292825,
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| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.063g/mol |
| Monoisotopic Mass | 247.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number