| CAS Number | 1261776-05-9 |
| Catalog Number | AG01FHF6(AGN-PC-3H4AOM) |
| Chemical Name | 4-Bromo-3-iodobenzyl alcohol |
| IUPAC Name | (4-bromo-3-iodophenyl)methanol |
| InChI | InChI=1S/C7H6BrIO/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2 |
| InChI Key | ZHSQRSVNSXTTJH-UHFFFAOYSA-N |
| MDL Number | MFCD18391657 |
| Molecular Formula | C7H6BrIO |
| Molecular Weight | 312.9304 |
| SMILES | OCC1=CC=C(Br)C(I)=C1 |
| Synonyms | 4-Bromo-3-iodobenzyl alcohol,
1261776-05-9,
(4-Bromo-3-iodophenyl)methanol,
MFCD18391657,
ZINC97437837,
AKOS027309256,
FCH1369983,
OR400084,
PS-11865,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.865g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.932g/mol |
| Monoisotopic Mass | 311.865g/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