| CAS Number | 1935459-09-8 |
| Catalog Number | AG01FH85(AGN-PC-3H4AMH) |
| Chemical Name | 5-bromo-1-iodo-2-methoxy-3-nitrobenzene |
| IUPAC Name | 5-bromo-1-iodo-2-methoxy-3-nitrobenzene |
| InChI | InChI=1S/C7H5BrINO3/c1-13-7-5(9)2-4(8)3-6(7)10(11)12/h2-3H,1H3 |
| InChI Key | CXOUTSIFAJBDGY-UHFFFAOYSA-N |
| MDL Number | MFCD28898061 |
| Molecular Formula | C7H5BrINO3 |
| Molecular Weight | 357.9280 |
| SMILES | BrC1=CC(=C(C(=C1)[N+](=O)[O-])OC)I |
| Synonyms | 4-Bromo-2-iodo-6-nitroanisole,
1935459-09-8,
MFCD28898061,
ZINC169800548,
FCH3814645,
OR400691,
PS-10549,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 356.85g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.929g/mol |
| Monoisotopic Mass | 356.85g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number