| CAS Number | 189576-09-8 |
| Catalog Number | AG002DS6(AGN-PC-06P923) |
| Chemical Name | 1,5-dichloro-2-iodo-3-nitrobenzene |
| IUPAC Name | 1,5-dichloro-2-iodo-3-nitrobenzene |
| InChI | InChI=1S/C6H2Cl2INO2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H |
| InChI Key | XHJSVHPVRDHXFQ-UHFFFAOYSA-N |
| MDL Number | MFCD08275978 |
| Molecular Formula | C6H2Cl2INO2 |
| Molecular Weight | 317.8960 |
| SMILES | c1(cc(c(c(c1)[N+](=O)[O-])I)Cl)Cl |
| Synonyms | 1,5-dichloro-2-iodo-3-nitrobenzene,
189576-09-8,
Benzene, 1,5-dichloro-2-iodo-3-nitro-,
CTK0A2810,
DTXSID80655956,
ZINC37291206,
AKOS009474465,
NE46499,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.851g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.891g/mol |
| Monoisotopic Mass | 316.851g/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 |
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Certificate of Analysis
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