| CAS Number | 76350-89-5 |
| Catalog Number | AG008NV5(AGN-PC-003G61) |
| Chemical Name | benzenemethanol, 3-iodo-2-methyl- |
| IUPAC Name | (3-iodo-2-methylphenyl)methanol |
| InChI | InChI=1S/C8H9IO/c1-6-7(5-10)3-2-4-8(6)9/h2-4,10H,5H2,1H3 |
| InChI Key | WVKFJUYXMBJNKD-UHFFFAOYSA-N |
| MDL Number | MFCD18397813 |
| Molecular Formula | C8H9IO |
| Molecular Weight | 248.0609 |
| SMILES | OCc1cccc(c1C)I |
| Synonyms | (3-iodo-2-methylphenyl)methanol,
76350-89-5,
3-iodo-2-methylbenzyl alcohol,
Benzenemethanol, 3-iodo-2-methyl-,
(3-Iodo-2-methyl-phenyl)-methanol,
3iodo-2-methylbenzyl alcohol,
SCHEMBL6271262,
CTK2G7867,
KS-00002BBV,
DTXSID20567302,
WVKFJUYXMBJNKD-UHFFFAOYSA-N,
(3-iodo-2-methylphenyl)-methanol,
MFCD18397813,
ZINC34439662,
AKOS026675663,
FCH1372188,
SS-4707,
OR310415,
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| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.063g/mol |
| Monoisotopic Mass | 247.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number