5-Amino-3-(4-chlorophenyl)isoxazole - CAS 33866-48-7
Catalog: |
BB021873 |
Product Name: |
5-Amino-3-(4-chlorophenyl)isoxazole |
CAS: |
33866-48-7 |
Synonyms: |
3-(4-chlorophenyl)-1,2-oxazol-5-amine |
IUPAC Name: | 3-(4-chlorophenyl)-1,2-oxazol-5-amine |
Description: | 5-Amino-3-(4-chlorophenyl)isoxazole (CAS# 33866-48-7) is a useful research chemical. |
Molecular Weight: | 194.62 |
Molecular Formula: | C9H7ClN2O |
Canonical SMILES: | C1=CC(=CC=C1C2=NOC(=C2)N)Cl |
InChI: | InChI=1S/C9H7ClN2O/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,11H2 |
InChI Key: | KRQFEURBUJROHA-UHFFFAOYSA-N |
Boiling Point: | 404.5 °C at 760 mmHg |
Density: | 1.342 g/cm3 |
Appearance: | Solid |
MDL: | MFCD01569450 |
LogP: | 3.15840 |
GHS Hazard Statement: | H301 (100%): 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-2020043866-A1 | Compounds | 20180831 |
EP-3843844-A1 | Compounds | 20180831 |
US-2021171475-A1 | Compounds | 20180831 |
JP-2019201631-A | Synthesis of therapeutic microvesicles and stem cells | 20180126 |
US-2021054344-A1 | Cpc exosomes mirna373 combination therapies | 20180126 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.0246905 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.0246905 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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