| CAS Number | 1263377-40-7 |
| Catalog Number | AG01ERKG(AGN-PC-3H47DN) |
| Chemical Name | 3-Bromo-2-chloro-5-iodoanisole |
| IUPAC Name | 1-bromo-2-chloro-5-iodo-3-methoxybenzene |
| InChI | InChI=1S/C7H5BrClIO/c1-11-6-3-4(10)2-5(8)7(6)9/h2-3H,1H3 |
| InChI Key | GOVVRCZPILNXFE-UHFFFAOYSA-N |
| MDL Number | MFCD18089326 |
| Molecular Formula | C7H5BrClIO |
| Molecular Weight | 347.3755 |
| SMILES | C1(Cl)=C(OC)C=C(C=C1Br)I |
| Synonyms | 3-Bromo-2-chloro-5-iodoanisole,
1263377-40-7,
ZINC67796597,
1-Bromo-2-chloro-5-iodo-3-methoxy-benzene,
1-?Bromo-?2-?chloro-?5-?iodo-?3-?methoxy-benzene,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.826g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.374g/mol |
| Monoisotopic Mass | 345.826g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number