| CAS Number | 159724-39-7 |
| Catalog Number | AG00ASYZ |
| Chemical Name | 4-(tert-butyl)-1-iodo-2-nitrobenzene |
| IUPAC Name | 4-tert-butyl-1-iodo-2-nitrobenzene |
| InChI | InChI=1S/C10H12INO2/c1-10(2,3)7-4-5-8(11)9(6-7)12(13)14/h4-6H,1-3H3 |
| InChI Key | OYQXVYLZVHKLHL-UHFFFAOYSA-N |
| MDL Number | MFCD11845935 |
| Molecular Formula | C10H12INO2 |
| Molecular Weight | 305.1122 |
| SMILES | C1=CC(I)=C([N+]([O-])=O)C=C1C(C)(C)C |
| Synonyms | 4-Iodo-3-nitro-tert-butylbenzene,
159724-39-7,
4-(tert-Butyl)-1-iodo-2-nitrobenzene,
4-(1,1-Dimethylethyl)-1-iodo-2-nitrobenzene,
SCHEMBL2646564,
ZINC36532763,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.115g/mol |
| Monoisotopic Mass | 304.991g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number