| CAS Number | 585509-88-2 |
| Catalog Number | AG00EKC4(AGN-PC-0A6KI7) |
| Chemical Name | 1-Iodo-3-Isopropoxy-Benzene |
| IUPAC Name | 1-iodo-3-propan-2-yloxybenzene |
| InChI | InChI=1S/C9H11IO/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,1-2H3 |
| InChI Key | YCYIKXQQIFRZHE-UHFFFAOYSA-N |
| MDL Number | MFCD14644565 |
| Molecular Formula | C9H11IO |
| Molecular Weight | 262.0875 |
| SMILES | CC(C)OC1=CC=CC(=C1)I |
| Synonyms | 1-Iodo-3-isopropoxy-benzene,
585509-88-2,
SCHEMBL255662,
AKOS008949270,
Benzene, 1-iodo-3-(1-methylethoxy)-,
1-iodo-3-isopropoxybenzene,
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| Complexity | 114 |
| 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 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number