3-(3-Chloropropyl)-5-methylisoxazole - CAS 178396-19-5
Catalog: |
BB070557 |
Product Name: |
3-(3-Chloropropyl)-5-methylisoxazole |
CAS: |
178396-19-5 |
Synonyms: |
3-(3-Chloropropyl)-5-methylisoxazole; 3-(3-chloropropyl)-5-methyl-1,2-oxazole; Isoxazole, 3-(3-chloropropyl)-5-methyl- (9CI) |
IUPAC Name: | 3-(3-chloropropyl)-5-methyl-1,2-oxazole |
Molecular Weight: | 159.61 |
Molecular Formula: | C7H10ClNO |
Canonical SMILES: | CC1=CC(=NO1)CCCCl |
InChI: | InChI=1S/C7H10ClNO/c1-6-5-7(9-10-6)3-2-4-8/h5H,2-4H2,1H3 |
InChI Key: | YCCLKPDXVJYSOP-UHFFFAOYSA-N |
Complexity: | 99.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.0450916 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.0450916 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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