| CAS Number | 249647-26-5 |
| Catalog Number | AG002Q0K(AGN-PC-0WQXMJ) |
| Chemical Name | 3-Bromo-4-iodobenzyl alcohol |
| IUPAC Name | (3-bromo-4-iodophenyl)methanol |
| InChI | InChI=1S/C7H6BrIO/c8-6-3-5(4-10)1-2-7(6)9/h1-3,10H,4H2 |
| InChI Key | UKBWGDPWHYKLAY-UHFFFAOYSA-N |
| MDL Number | MFCD09836677 |
| Molecular Formula | C7H6BrIO |
| Molecular Weight | 312.9304 |
| SMILES | BrC=1C=C(C=CC1I)CO |
| Synonyms | (3-bromo-4-iodophenyl)methanol,
249647-26-5,
3-Bromo-4-iodobenzyl alcohol,
Benzenemethanol, 3-bromo-4-iodo-,
3-Bromo-4-iodobenzenemethanol,
SCHEMBL570147,
UKBWGDPWHYKLAY-UHFFFAOYSA-N,
MFCD09836677,
ZINC96300529,
PS-11863,
FT-0709717,
(3-((cyclopentyloxy)methyl)phenyl)methanamine,
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| 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
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Certificate of Analysis
Lot Number