| CAS Number | 859794-01-7 |
| Catalog Number | AG004QBC(AGN-PC-0WD1DC) |
| Chemical Name | 2-Chloro-4-iodo-5-nitrotoluene |
| IUPAC Name | 1-chloro-5-iodo-2-methyl-4-nitrobenzene |
| InChI | InChI=1S/C7H5ClINO2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,1H3 |
| InChI Key | GCXGZOXGUGMUGM-UHFFFAOYSA-N |
| MDL Number | MFCD15143546 |
| Molecular Formula | C7H5ClINO2 |
| Molecular Weight | 297.4776 |
| SMILES | [O-][N+](=O)c1cc(C)c(cc1I)Cl |
| Synonyms | 859794-01-7,
1-Chloro-5-iodo-2-methyl-4-nitrobenzene,
2-CHLORO-4-IODO-5-NITROTOLUENE,
ACMC-209q80,
CTK5F6117,
DTXSID30681967,
ANW-38254,
MFCD15143546,
ZINC65337066,
AKOS015849978,
FCH1388363,
AJ-114987,
AX8251498,
TR-038028,
V8146,
B-5383,
I01-11496,
C7H5ClINO2,
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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