| CAS Number | 90003-91-1 |
| Catalog Number | AG01ABDT |
| Chemical Name | 1-Iodo-2-(methoxymethyl)benzene |
| IUPAC Name | 1-iodo-2-(methoxymethyl)benzene |
| InChI | InChI=1S/C8H9IO/c1-10-6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3 |
| InChI Key | UNLSSSIQXFBAQU-UHFFFAOYSA-N |
| MDL Number | MFCD14680983 |
| Molecular Formula | C8H9IO |
| Molecular Weight | 248.0609 |
| SMILES | COCC1=C(I)C=CC=C1 |
| Synonyms | 1-iodo-2-(methoxymethyl)benzene,
90003-91-1,
UNLSSSIQXFBAQU-UHFFFAOYSA-N,
180165-34-8,
AC1Q4FJU,
1-iodo-2-methoxymethylbenzene,
Benzene, iodo(methoxymethyl)-,
SCHEMBL4486648,
CTK0A6638,
1-(Methoxymethyl)-2-iodobenzene,
DTXSID00524453,
2-Iodobenzyl alcohol, methyl ether,
ZINC39414086,
AKOS010766171,
MCULE-7696723618,
NE32982,
EN300-71327,
Z1245735246,
|
| Complexity | 95.3 |
| 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 | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number