| CAS Number | 1261438-69-0 |
| Catalog Number | AG000RQF(AGN-PC-0WR0KM) |
| Chemical Name | Benzenemethanol, 4-bromo-2-iodo- |
| IUPAC Name | (4-bromo-2-iodophenyl)methanol |
| InChI | InChI=1S/C7H6BrIO/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2 |
| InChI Key | PHCDQWNJXJCVFN-UHFFFAOYSA-N |
| MDL Number | MFCD18391656 |
| Molecular Formula | C7H6BrIO |
| Molecular Weight | 312.9304 |
| SMILES | c1cc(c(cc1Br)I)CO |
| Synonyms | 4-BROMO-2-IODOBENZYL ALCOHOL,
(4-Bromo-2-iodophenyl)methanol,
1261438-69-0,
Benzenemethanol, 4-bromo-2-iodo-,
ZX-AT013954,
MFCD18391656,
ZINC96025128,
FCH1369982,
OR46536,
PS-11875,
AS-813/43501701,
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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