| CAS Number | 857335-90-1 |
| Catalog Number | AG00G9CI(AGN-PC-05TJRH) |
| Chemical Name | 1-Iodo-2-isopropoxy-benzene |
| IUPAC Name | 1-iodo-2-propan-2-yloxybenzene |
| InChI | InChI=1S/C9H11IO/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7H,1-2H3 |
| InChI Key | JZXUAZVWPIWITF-UHFFFAOYSA-N |
| MDL Number | MFCD11850281 |
| Molecular Formula | C9H11IO |
| Molecular Weight | 262.0875 |
| SMILES | CC(C)OC1=CC=CC=C1I |
| Synonyms | 1-Iodo-2-isopropoxybenzene,
857335-90-1,
1-Iodo-2-isopropoxy-benzene,
SCHEMBL12546996,
JZXUAZVWPIWITF-UHFFFAOYSA-N,
1-Iodo-2-(propan-2-yloxy)benzene,
ZINC32602848,
AKOS010660161,
Benzene, 1-iodo-2-(1-methylethoxy)-,
|
| 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
Certificate of Analysis
Lot Number