| CAS Number | 335349-58-1 |
| Catalog Number | AG00CLD3(AGN-PC-03PQDN) |
| Chemical Name | 4-Iodo-5-methyl-2-nitroaniline |
| IUPAC Name | 4-iodo-5-methyl-2-nitroaniline |
| InChI | InChI=1S/C7H7IN2O2/c1-4-2-6(9)7(10(11)12)3-5(4)8/h2-3H,9H2,1H3 |
| InChI Key | DLAZSRKCQDQBPC-UHFFFAOYSA-N |
| MDL Number | MFCD27949584 |
| Molecular Formula | C7H7IN2O2 |
| Molecular Weight | 278.0471 |
| SMILES | CC1=CC(N)=C(C=C1I)[N+]([O-])=O |
| Synonyms | 4-Iodo-5-methyl-2-nitroaniline,
335349-58-1,
Benzenamine, 4-iodo-5-methyl-2-nitro-,
SCHEMBL7138557,
CTK1B1694,
DTXSID50625681,
MFCD27949584,
ZINC90367311,
4-iodo-5-methyl-2-nitro-phenylamine,
AKOS024261878,
FCH2507523,
OR400191,
PS-10593,
AJ-128553,
AX8290999,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.049g/mol |
| Monoisotopic Mass | 277.955g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number