| CAS Number | 1263377-21-4 |
| Catalog Number | AG01DDLK(AGN-PC-08Y063) |
| Chemical Name | 1-bromo-2-chloro-4-iodo-5-nitrobenzene |
| IUPAC Name | 1-bromo-2-chloro-4-iodo-5-nitrobenzene |
| InChI | InChI=1S/C6H2BrClINO2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H |
| InChI Key | FAASTNUYSNSGHG-UHFFFAOYSA-N |
| MDL Number | MFCD18089339 |
| Molecular Formula | C6H2BrClINO2 |
| Molecular Weight | 362.3470 |
| SMILES | N(=O)(=O)c1c(I)cc(c(c1)Br)Cl |
| Synonyms | 5-Bromo-4-chloro-2-iodonitrobenzene,
1-bromo-2-chloro-4-iodo-5-nitrobenzene,
1263377-21-4,
ZINC67796618,
AKOS030573721,
5-?Bromo-?4-?chloro-?2-?iodonitrobenzene,
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| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.8g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 362.345g/mol |
| Monoisotopic Mass | 360.8g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number