| CAS Number | 1774898-47-3 |
| Catalog Number | AG00HZPW |
| Chemical Name | 4,5-Dichloro-2-nitroiodobenzene |
| IUPAC Name | 1,2-dichloro-4-iodo-5-nitrobenzene |
| InChI | InChI=1S/C6H2Cl2INO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H |
| InChI Key | RNUAKXBFFAYDRV-UHFFFAOYSA-N |
| MDL Number | MFCD26958724 |
| Molecular Formula | C6H2Cl2INO2 |
| Molecular Weight | 317.8961 |
| SMILES | ClC1=C(C=C(C(=C1)[N+](=O)[O-])I)Cl |
| Synonyms | 4,5-Dichloro-2-nitroiodobenzene,
1,2-dichloro-4-iodo-5-nitrobenzene,
1774898-47-3,
SCHEMBL8296066,
ZINC96024837,
AKOS027391106,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number