| CAS Number | 52415-00-6 |
| Catalog Number | AG00DL41(AGN-PC-00MFUE) |
| Chemical Name | 4-Iodo-2-methyl-1-nitrobenzene |
| IUPAC Name | 4-iodo-2-methyl-1-nitrobenzene |
| InChI | InChI=1S/C7H6INO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3 |
| InChI Key | KLFPWAALRHXSRR-UHFFFAOYSA-N |
| MDL Number | MFCD08234827 |
| Molecular Formula | C7H6INO2 |
| Molecular Weight | 263.0325 |
| SMILES | O=[N+](C1=CC=C(I)C=C1C)[O-] |
| Synonyms | 4-IODO-2-METHYL-1-NITROBENZENE,
52415-00-6,
KLFPWAALRHXSRR-UHFFFAOYSA-N,
3-iodo-6-nitrotoluene,
2-Nitro-5-iodotoluene,
5-Iodo-2-nitrotoluene,
4-iodo-2-methylnitrobenzene,
SCHEMBL6693481,
CTK4J5888,
DTXSID50539779,
ZINC39643213,
Benzene, 4-iodo-2-methyl-1-nitro-,
AKOS010054463,
NE13778,
FT-0711134,
Toluene, 4-iodo-2-nitro,
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| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.034g/mol |
| Monoisotopic Mass | 262.944g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number