2-Bromo-4'-iodoacetophenone - CAS 31827-94-8
Catalog: |
BB021072 |
Product Name: |
2-Bromo-4'-iodoacetophenone |
CAS: |
31827-94-8 |
Synonyms: |
2-bromo-1-(4-iodophenyl)ethanone; 2-bromo-1-(4-iodophenyl)ethanone |
IUPAC Name: | 2-bromo-1-(4-iodophenyl)ethanone |
Description: | 2-Bromo-4'-iodoacetophenone (CAS# 31827-94-8) is a useful research chemical compound. |
Molecular Weight: | 324.94 |
Molecular Formula: | C8H6BrIO |
Canonical SMILES: | C1=CC(=CC=C1C(=O)CBr)I |
InChI: | InChI=1S/C8H6BrIO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2 |
InChI Key: | FSIBMLJFLPWMTD-UHFFFAOYSA-N |
Boiling Point: | 328.7 °C at 760 mmHg |
Density: | 2.08 g/cm3 |
MDL: | MFCD01360521 |
LogP: | 2.86880 |
Publication Number | Title | Priority Date |
WO-2021012018-A1 | Inhibitor compounds | 20190724 |
WO-2021003571-A1 | Imidazothiazole compounds and methods for treating plant nematode infections | 20190708 |
WO-2020165672-A1 | Process for preparation of highly pure fingolimod hydrochloride | 20190215 |
WO-2020058558-A1 | Cdc7-inhibiting purine derivatives and their use for the treatment of neurological conditions | 20180921 |
EP-3854401-A1 | Cdc7-inhibiting purine derivatives and their use for the treatment of neurological conditions | 20180921 |
PMID | Publication Date | Title | Journal |
21588673 | 20100818 | 4-Hy-droxy-2-[(4-iodo-benzo-yl)meth-yl]-3-(3-meth-oxy-benzo-yl)-2H-1,2-benzothia-zine 1,1-dioxide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 323.86467 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 323.86467 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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