| CAS Number | 123158-78-1 |
| Catalog Number | AG00HH6I(AGN-PC-02JB84) |
| Chemical Name | 1-Iodo-3-methyl-5-nitrobenzene |
| IUPAC Name | 1-iodo-3-methyl-5-nitrobenzene |
| InChI | InChI=1S/C7H6INO2/c1-5-2-6(8)4-7(3-5)9(10)11/h2-4H,1H3 |
| InChI Key | VIGIBQJFOYFDSH-UHFFFAOYSA-N |
| MDL Number | MFCD15144646 |
| Molecular Formula | C7H6INO2 |
| Molecular Weight | 263.0325 |
| SMILES | CC1=CC([N+]([O-])=O)=CC(I)=C1 |
| Synonyms | 3-Iodo-5-nitrotoluene,
123158-78-1,
1-iodo-3-methyl-5-nitrobenzene,
3-iodo-5-methylnitrobenzene,
SCHEMBL5289451,
VIGIBQJFOYFDSH-UHFFFAOYSA-N,
MFCD15144646,
ZINC87493249,
Benzene, 1-iodo-3-methyl-5-nitro-,
CM13970,
FT-0757402,
X3256,
C7H6INO2,
|
| 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
Certificate of Analysis
Lot Number