| CAS Number | 83706-53-0 |
| Catalog Number | AG004XPU(AGN-PC-0KNXT6) |
| Chemical Name | 4-Chloro-6-iodo-3-nitrotoluene |
| EC Number | 280-529-3 |
| IUPAC Name | 1-chloro-5-iodo-4-methyl-2-nitrobenzene |
| InChI | InChI=1S/C7H5ClINO2/c1-4-2-7(10(11)12)5(8)3-6(4)9/h2-3H,1H3 |
| InChI Key | QKCJKTFOGQXDPE-UHFFFAOYSA-N |
| MDL Number | MFCD09263247 |
| Molecular Formula | C7H5ClINO2 |
| Molecular Weight | 297.4776 |
| SMILES | [O-][N+](=O)c1cc(C)c(cc1Cl)I |
| Synonyms | 1-chloro-5-iodo-4-methyl-2-nitrobenzene,
83706-53-0,
4-Chloro-6-iodo-3-nitrotoluene,
4-Chloro-2-iodo-5-nitrotoluene,
EINECS 280-529-3,
AC1MI7RY,
SCHEMBL4280127,
CTK5F0997,
DTXSID50232571,
MFCD09263247,
ZINC14986043,
AKOS027381011,
Benzene,1-chloro-5-iodo-4-methyl-2-nitro-,
W-3066,
F9994-5238,
C7H5ClINO2,
C7-H5-Cl-I-N-O2,
CID3019222,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.905g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.476g/mol |
| Monoisotopic Mass | 296.905g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number