| CAS Number | 948007-45-2 |
| Catalog Number | AG00JATH(AGN-PC-015P0W) |
| Chemical Name | 3-(chloromethyl)tetrahydro-2H-pyran |
| IUPAC Name | 3-(chloromethyl)oxane |
| InChI | InChI=1S/C6H11ClO/c7-4-6-2-1-3-8-5-6/h6H,1-5H2 |
| InChI Key | WLUAIDDBBCAIDY-UHFFFAOYSA-N |
| MDL Number | MFCD10037583 |
| Molecular Formula | C6H11ClO |
| Molecular Weight | 134.6039 |
| SMILES | ClCC1COCCC1 |
| Synonyms | 3-(Chloromethyl)tetrahydro-2H-pyran,
948007-45-2,
3-(chloromethyl)oxane,
SCHEMBL991377,
SBB018772,
AKOS012312978,
3-(chloromethyl)-2H-3,4,5,6-tetrahydropyran,
2H-Pyran, 3-(chloromethyl)tetrahydro-,
|
| Complexity | 65.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 134.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 134.603g/mol |
| Monoisotopic Mass | 134.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number