| CAS Number | 166386-60-3 |
| Catalog Number | AG01BD3Z(AGN-PC-0WOME2) |
| Chemical Name | (3-Chloro-4-iodophenyl)methanol |
| IUPAC Name | (3-chloro-4-iodophenyl)methanol |
| InChI | InChI=1S/C7H6ClIO/c8-6-3-5(4-10)1-2-7(6)9/h1-3,10H,4H2 |
| InChI Key | GIYKBMUSYAKHGE-UHFFFAOYSA-N |
| MDL Number | MFCD18393355 |
| Molecular Formula | C7H6ClIO |
| Molecular Weight | 268.4794 |
| SMILES | OCC1=CC=C(I)C(Cl)=C1 |
| Synonyms | (3-chloro-4-iodophenyl)methanol,
166386-60-3,
3-Chloro-4-iodobenzyl alcohol,
SCHEMBL6113228,
Benzenemethanol, 3-chloro-4-iodo-,
ZINC96300659,
AKOS033615923,
MCULE-6882042840,
NE44882,
FT-0758497,
Z1839480685,
3-chloro-4-iodoBenzenemethanol,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.915g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.478g/mol |
| Monoisotopic Mass | 267.915g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number