| CAS Number | 1094026-85-3 |
| Catalog Number | AG0096F1(AGN-PC-0WBSFA) |
| Chemical Name | 2-Iodo-4,5-dimethylbenzaldehyde |
| IUPAC Name | 2-iodo-4,5-dimethylbenzaldehyde |
| InChI | InChI=1S/C9H9IO/c1-6-3-8(5-11)9(10)4-7(6)2/h3-5H,1-2H3 |
| InChI Key | PCKSGWHOUGMSPV-UHFFFAOYSA-N |
| MDL Number | MFCD14583067 |
| Molecular Formula | C9H9IO |
| Molecular Weight | 260.0716 |
| SMILES | IC1=C(C=O)C=C(C(=C1)C)C |
| Synonyms | 2-iodo-4,5-dimethylbenzaldehyde,
1094026-85-3,
GEO-02919,
2-lodo-4,5-dimethylbenzaldehyde,
SCHEMBL13556326,
DTXSID80857074,
MFCD14583067,
ZINC86032081,
AKOS025212721,
FCH1385053,
2-Iodo-4,5-dimethylbenzaldehyde, 97%,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.074g/mol |
| Monoisotopic Mass | 259.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number