5'-Bromo-2'-hydroxypropiophenone - CAS 17764-93-1
Catalog: |
BB013317 |
Product Name: |
5'-Bromo-2'-hydroxypropiophenone |
CAS: |
17764-93-1 |
Synonyms: |
1-(5-bromo-2-hydroxyphenyl)propan-1-one |
IUPAC Name: | 1-(5-bromo-2-hydroxyphenyl)propan-1-one |
Description: | 5'-Bromo-2'-hydroxypropiophenone (CAS# 17764-93-1) is a useful research chemical. |
Molecular Weight: | 229.07 |
Molecular Formula: | C9H9BrO2 |
Canonical SMILES: | CCC(=O)C1=C(C=CC(=C1)Br)O |
InChI: | InChI=1S/C9H9BrO2/c1-2-8(11)7-5-6(10)3-4-9(7)12/h3-5,12H,2H2,1H3 |
InChI Key: | NDXLYRKTHTZXRC-UHFFFAOYSA-N |
Boiling Point: | 296.8 ℃ at 760 mmHg |
Density: | 1.506 g/cm3 |
LogP: | 2.74740 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020254558-A1 | 5-[(1s)-1-(4-bromophenoxy)ethyl]-2h-tetrazole derivatives and related compounds as clc-1 ion channel inhibitors for treating neuromuscular disorders | 20190619 |
WO-2020254559-A1 | Compounds for the treatment of neuromuscular disorders | 20190619 |
EP-2876109-A1 | Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same | 20120723 |
KR-20140018795-A | Furan-containing fused ring compound or salt thereof and pharmaceutical composition comprising same | 20120723 |
US-2015191478-A1 | Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same | 20120723 |
PMID | Publication Date | Title | Journal |
22090894 | 20110801 | {N'-[(E)-1-(5-Bromo-2-oxidophen-yl)ethyl-idene-κO]-4-methyl-benzohydrazidato-κN',O}(pyridine-κN)nickel(II) | Acta crystallographica. Section E, Structure reports online |
21837180 | 20110701 | N'-[(E)-1-(5-Bromo-2-hy-droxy-phen-yl)ethyl-idene]-4-nitro-benzohydrazide | Acta crystallographica. Section E, Structure reports online |
21754277 | 20110501 | {N'-[(E)-1-(5-Bromo-2-oxidophen-yl)ethyl-idene]-4-hy-droxy-benzohydrazidato}pyridine-copper(II) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.97859 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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