3-Chloro-5,5-dimethyl-4,5-dihydroisoxazole - CAS 326829-08-7
Catalog: |
BB021365 |
Product Name: |
3-Chloro-5,5-dimethyl-4,5-dihydroisoxazole |
CAS: |
326829-08-7 |
Synonyms: |
3-chloro-5,5-dimethyl-4H-isoxazole; 3-chloro-5,5-dimethyl-4H-1,2-oxazole |
IUPAC Name: | 3-chloro-5,5-dimethyl-4H-1,2-oxazole |
Description: | 3-Chloro-5,5-dimethyl-4,5-dihydroisoxazole (CAS# 326829-08-7 ) is a useful research chemical. |
Molecular Weight: | 133.58 |
Molecular Formula: | C5H8ClNO |
Canonical SMILES: | CC1(CC(=NO1)Cl)C |
InChI: | InChI=1S/C5H8ClNO/c1-5(2)3-4(6)7-8-5/h3H2,1-2H3 |
InChI Key: | YMCWJQIZJIKFHO-UHFFFAOYSA-N |
LogP: | 1.17320 |
Publication Number | Title | Priority Date |
CN-113372288-A | Synthetic method of topramezone pesticide intermediate | 20210602 |
CN-112645894-A | Method for preparing sulpirazole intermediate 5, 5-dimethyl-4, 5-dihydroisoxazole-3-thiocarboxamidine hydrochloride | 20201130 |
CN-112110912-A | Method for synthesizing thioether intermediate | 20200731 |
WO-2021176456-A1 | Process and intermediates for the preparation of pyroxasulfone | 20200305 |
WO-2021019537-A1 | Process and intermediates for the preparation of pyroxasulfone | 20190730 |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 133.0294416 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 133.0294416 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 21.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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