| Catalog Number | ACM130800769-1 |
| CAS | 130800-76-9 |
| IUPAC Name | 5-(3-chloropropyl)-3-methyl-1,2-oxazole |
| Synonyms | 5-(3-Chloropropyl)-3-methylisoxazole;130800-76-9;5-(3-chloropropyl)-3-methyl-1,2-oxazole;3-(3-methylisoxazol-5-yl)propyl chloride;Isoxazole,5-(3-chloropropyl)-3-methyl-;ACMC-20mtt7;SCHEMBL8123740;DTXSID00435575;ZINC2524889;5-(3-Chloropropyl)3-methylisoxazole;AKOS006384482;DB-010998;FT-0664935 |
| Molecular Weight | 159.61g/mol |
| Molecular Formula | C7H10ClNO |
| Canonical SMILES | CC1=NOC(=C1)CCCCl |
| InChI | InChI=1S/C7H10ClNO/c1-6-5-7(10-9-6)3-2-4-8/h5H,2-4H2,1H3 |
| InChI Key | WKCCXMQDJNSMOT-UHFFFAOYSA-N |
| Complexity | 99.6 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 159.0450916g/mol |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Monoisotopic Mass | 159.0450916g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26Ų |
| X Log P3 | 2 |