3-p-Tolylisoxazole - CAS 13271-86-8
Catalog: |
BB007625 |
Product Name: |
3-p-Tolylisoxazole |
CAS: |
13271-86-8 |
Synonyms: |
3-(4-methylphenyl)-1,2-oxazole |
IUPAC Name: | 3-(4-methylphenyl)-1,2-oxazole |
Description: | 3-p-Tolylisoxazole (CAS# 13271-86-8 ) is a useful research chemical. |
Molecular Weight: | 159.18 |
Molecular Formula: | C10H9NO |
Canonical SMILES: | CC1=CC=C(C=C1)C2=NOC=C2 |
InChI: | InChI=1S/C10H9NO/c1-8-2-4-9(5-3-8)10-6-7-12-11-10/h2-7H,1H3 |
InChI Key: | BRTGAZAKSSGEBJ-UHFFFAOYSA-N |
Purity: | 95 % |
LogP: | 2.65000 |
Publication Number | Title | Priority Date |
CN-109535153-A | A kind of benzoisothiazolinone isoxazole acetamide derivative and its synthetic method and application | 20181010 |
CN-106632300-A | Polysubstituted isoxazole compound with insecticidal activity and preparation method of polysubstituted isoxazole compound with insecticidal activity | 20160929 |
CN-103819467-B | The preparation method and its usage of quinazoline derivant | 20140227 |
WO-2013127729-A1 | 6 - alkynyl pyridines as smac mimetics | 20120227 |
WO-2011103715-A1 | Task channel antagonists | 20100225 |
PMID | Publication Date | Title | Journal |
21578712 | 20091104 | 1-(3-p-Tolyl-isoxazol-5-yl)cyclo-hexa-nol | Acta crystallographica. Section E, Structure reports online |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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