3-(4-Bromophenyl)isoxazole-5-carboxaldehyde - CAS 863391-64-4
Catalog: |
BB037895 |
Product Name: |
3-(4-Bromophenyl)isoxazole-5-carboxaldehyde |
CAS: |
863391-64-4 |
Synonyms: |
3-(4-bromophenyl)-1,2-oxazole-5-carbaldehyde |
IUPAC Name: | 3-(4-bromophenyl)-1,2-oxazole-5-carbaldehyde |
Description: | 3-(4-Bromophenyl)isoxazole-5-carboxaldehyde (CAS# 863391-64-4) is a useful research chemical. |
Molecular Weight: | 252.06 |
Molecular Formula: | C10H6BrNO2 |
Canonical SMILES: | C1=CC(=CC=C1C2=NOC(=C2)C=O)Br |
InChI: | InChI=1S/C10H6BrNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-6H |
InChI Key: | JVFWCMXKSCOWDI-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD12196321 |
LogP: | 2.91660 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2019201631-A | Synthesis of therapeutic microvesicles and stem cells | 20180126 |
US-2021054344-A1 | Cpc exosomes mirna373 combination therapies | 20180126 |
US-2018273906-A1 | Microvesicle and stem cell compositions for therapeutic applications | 20140417 |
US-2015191439-A1 | Inhibitors targeting drug-resistant influenza a | 20111206 |
US-9884832-B2 | Inhibitors targeting drug-resistant influenza A | 20111206 |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.95819 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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