| CAS Number | 89284-60-6 |
| Catalog Number | AG00IFMD(AGN-PC-023F0B) |
| Chemical Name | 2-Chloro-4-iodo-1-nitrobenzene |
| IUPAC Name | 2-chloro-4-iodo-1-nitrobenzene |
| InChI | InChI=1S/C6H3ClINO2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H |
| InChI Key | XFZDMPIWHWAUGI-UHFFFAOYSA-N |
| MDL Number | MFCD18393437 |
| Molecular Formula | C6H3ClINO2 |
| Molecular Weight | 283.4510 |
| SMILES | ClC1=C(C=CC(=C1)I)[N+](=O)[O-] |
| Synonyms | 2-Chloro-4-iodo-1-nitrobenzene,
89284-60-6,
2-CHLORO-4-IODONITROBENZENE,
SCHEMBL8690078,
1-Chloro-5-iodo-2-nitrobenzene,
2-chloro-4-iodo-1-nitro-benzene,
Benzene, 2-chloro-4-iodo-1-nitro-,
AKOS017553018,
ZINC116932275,
Benzene, 2-chloro-4-iodo-1-nitro,
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| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.89g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.449g/mol |
| Monoisotopic Mass | 282.89g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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