| CAS Number | 851384-78-6 |
| Catalog Number | AG00IDJZ(AGN-PC-0NI0DF) |
| Chemical Name | Benzenemethanol, 2-iodo-4,5-dimethyl- |
| IUPAC Name | (2-iodo-4,5-dimethylphenyl)methanol |
| InChI | InChI=1S/C9H11IO/c1-6-3-8(5-11)9(10)4-7(6)2/h3-4,11H,5H2,1-2H3 |
| InChI Key | OZONDJBVFLGNJH-UHFFFAOYSA-N |
| MDL Number | MFCD14583069 |
| Molecular Formula | C9H11IO |
| Molecular Weight | 262.0875 |
| SMILES | IC1=C(C=C(C(=C1)C)C)CO |
| Synonyms | (2-Iodo-4,5-dimethylphenyl)methanol,
851384-78-6,
SCHEMBL2354762,
OZONDJBVFLGNJH-UHFFFAOYSA-N,
MFCD14583069,
ZINC38881494,
(2-iodo-4,5-dimethyl-phenyl)-methanol,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.09g/mol |
| Monoisotopic Mass | 261.985g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number