| CAS Number | 135049-82-0 |
| Catalog Number | AG009W5G(AGN-PC-002JJS) |
| Chemical Name | Benzene, 1-iodo-4-(1-methylethoxy)- |
| IUPAC Name | 1-iodo-4-propan-2-yloxybenzene |
| InChI | InChI=1S/C9H11IO/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7H,1-2H3 |
| InChI Key | NULYQBMKXDZCNQ-UHFFFAOYSA-N |
| MDL Number | MFCD11183231 |
| Molecular Formula | C9H11IO |
| Molecular Weight | 262.0875 |
| SMILES | O(C(C)C)c1ccc(cc1)I |
| Synonyms | 1-iodo-4-(propan-2-yloxy)benzene,
135049-82-0,
Benzene, 1-iodo-4-(1-methylethoxy)-,
1-Iodo-4-isopropoxy-benzene,
AC1Q1QPH,
1-iodo-4-isopropoxybenzene,
SCHEMBL256381,
CTK6B0801,
NULYQBMKXDZCNQ-UHFFFAOYSA-N,
ZINC34364362,
AKOS008018534,
MCULE-8470796835,
NE35169,
EN300-60976,
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| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.09g/mol |
| Monoisotopic Mass | 261.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number