5-(4-Bromophenyl)isoxazole-3-carboxylic acid - CAS 33282-23-4
Catalog: |
BB021648 |
Product Name: |
5-(4-Bromophenyl)isoxazole-3-carboxylic acid |
CAS: |
33282-23-4 |
Synonyms: |
3-Isoxazolecarboxylic acid, 5-(4-bromophenyl)-; 3-Isoxazolecarboxylic acid, 5-(p-bromophenyl)-; 5-(4-Bromophenyl)-3-isoxazolecarboxylic acid |
IUPAC Name: | 5-(4-bromophenyl)-1,2-oxazole-3-carboxylic acid |
Molecular Weight: | 268.06 |
Molecular Formula: | C10H6BrNO3 |
Canonical SMILES: | C1=CC(=CC=C1C2=CC(=NO2)C(=O)O)Br |
InChI: | InChI=1S/C10H6BrNO3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14) |
InChI Key: | MLMNGXLPBJRYFI-UHFFFAOYSA-N |
Boiling Point: | 478.2±35.0°C at 760 mmHg |
Melting Point: | 226-227°C |
Purity: | ≥95% |
Density: | 1.681±0.06 g/cm3 |
Appearance: | White to Off-white Amorphous Powder |
Storage: | Store at 2-8°C |
MDL: | MFCD06245167 |
LogP: | 2.80230 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, 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 |
AU-2016358242-A1 | N-substituted indole derivatives as PGE2 receptor modulators | 20151120 |
CA-3002610-A1 | N-substituted indole derivatives as pge2 receptor modulators | 20151120 |
EP-3377483-A1 | N-substituted indole derivatives as pge2 receptor modulators | 20151120 |
PMID | Publication Date | Title | Journal |
13678400 | 20030925 | Fragment screening and assembly: a highly efficient approach to a selective and cell active protein tyrosine phosphatase 1B inhibitor | Journal of medicinal chemistry |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.95311 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.95311 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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