| CAS Number | 943742-29-8 |
| Catalog Number | AG00II3J |
| Chemical Name | 4-Bromo-2-ethoxy-1-iodobenzene |
| IUPAC Name | 4-bromo-2-ethoxy-1-iodobenzene |
| InChI | InChI=1S/C8H8BrIO/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5H,2H2,1H3 |
| InChI Key | PVWXWVPXFCPJNO-UHFFFAOYSA-N |
| MDL Number | MFCD12547814 |
| Molecular Formula | C8H8BrIO |
| Molecular Weight | 326.9570 |
| SMILES | BrC1=CC(=C(C=C1)I)OCC |
| Synonyms | 4-bromo-2-ethoxy-1-iodobenzene,
943742-29-8,
4-Bromo-2-ethoxy-1-iodo-benzene,
SCHEMBL3859532,
PVWXWVPXFCPJNO-UHFFFAOYSA-N,
ZINC40571497,
Benzene, 4-bromo-2-ethoxy-1-iodo-,
AKOS027385811,
A1-08355,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.88g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.959g/mol |
| Monoisotopic Mass | 325.88g/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