5-(4-Bromophenyl)isoxazole-3-propionic acid - CAS 870703-99-4
Catalog: |
BB038216 |
Product Name: |
5-(4-Bromophenyl)isoxazole-3-propionic acid |
CAS: |
870703-99-4 |
Synonyms: |
3-[5-(4-bromophenyl)-1,2-oxazol-3-yl]propanoic acid |
IUPAC Name: | 3-[5-(4-bromophenyl)-1,2-oxazol-3-yl]propanoic acid |
Description: | 5-(4-Bromophenyl)isoxazole-3-propionic acid (CAS# 870703-99-4) is a useful research chemical. |
Molecular Weight: | 296.12 |
Molecular Formula: | C12H10BrNO3 |
Canonical SMILES: | C1=CC(=CC=C1C2=CC(=NO2)CCC(=O)O)Br |
InChI: | InChI=1S/C12H10BrNO3/c13-9-3-1-8(2-4-9)11-7-10(14-17-11)5-6-12(15)16/h1-4,7H,5-6H2,(H,15,16) |
InChI Key: | HLKQZCPKIIKIKL-UHFFFAOYSA-N |
Boiling Point: | 464.3 ℃ at 760 mmHg |
Density: | 1.551 g/cm3 |
Appearance: | White to brown powder or crystals |
MDL: | MFCD08276790 |
LogP: | 3.12130 |
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 |
TW-201906819-A | Novel imidazole derivatives | 20170525 |
WO-2018216822-A1 | Novel imidazole derivatives | 20170525 |
US-2018273906-A1 | Microvesicle and stem cell compositions for therapeutic applications | 20140417 |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 294.98441 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 294.98441 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 63.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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Isoxazoles
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