| CAS Number | 4677-16-1 |
| Catalog Number | AG00E00B(AGN-PC-0WOIJ3) |
| Chemical Name | Tetrahydro-4-(2-iodoethyl)-2H-pyran |
| IUPAC Name | 4-(2-iodoethyl)oxane |
| InChI | InChI=1S/C7H13IO/c8-4-1-7-2-5-9-6-3-7/h7H,1-6H2 |
| InChI Key | DMFPKHPJSREPBI-UHFFFAOYSA-N |
| MDL Number | MFCD13189993 |
| Molecular Formula | C7H13IO |
| Molecular Weight | 240.0820 |
| SMILES | C1COCCC1CCI |
| Synonyms | 4-(2-iodoethyl)tetrahydro-2H-pyran,
4677-16-1,
TETRAHYDRO-4-(2-IODOETHYL)-2H-PYRAN,
4-(2-IODOETHYL)OXANE,
SCHEMBL15492712,
MFCD13189993,
ZINC95077159,
AB69545,
AM100845,
|
| Complexity | 69.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.084g/mol |
| Monoisotopic Mass | 240.001g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number