8-Bromooctanoic acid - CAS 17696-11-6
Catalog: |
BB013260 |
Product Name: |
8-Bromooctanoic acid |
CAS: |
17696-11-6 |
Synonyms: |
8-bromooctanoic acid |
IUPAC Name: | 8-bromooctanoic acid |
Description: | 8-Bromooctanoic acid (CAS# 17696-11-6) is a useful compound for sonodynamic therapy. |
Molecular Weight: | 223.11 |
Molecular Formula: | C8H15BrO2 |
Canonical SMILES: | C(CCCC(=O)O)CCCBr |
InChI: | InChI=1S/C8H15BrO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11) |
InChI Key: | BKJFDZSBZWHRNH-UHFFFAOYSA-N |
Boiling Point: | 147-150 °C (2 mmHg) |
Density: | 1.324 g/cm3 |
MDL: | MFCD00004430 |
LogP: | 2.80650 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22128915 | 20120301 | Mitochondrial lipoic acid scavenging is essential for Plasmodium berghei liver stage development | Cellular microbiology |
20556636 | 20100701 | Deciphering the chemical basis of nestmate recognition | Journal of chemical ecology |
19656305 | 20091001 | Use of metabolic control analysis to give quantitative information on control of lipid biosynthesis in the important oil crop, Elaeis guineensis (oilpalm) | The New phytologist |
19434237 | 20090101 | Knockout studies reveal an important role of Plasmodium lipoic acid protein ligase A1 for asexual blood stage parasite survival | PloS one |
18069893 | 20071201 | Apicoplast lipoic acid protein ligase B is not essential for Plasmodium falciparum | PLoS pathogens |
Complexity: | 104 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.02554 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.02554 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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