| CAS Number | 26274-19-1 |
| Catalog Number | AG002SJX(AGN-PC-0LQ248) |
| Chemical Name | 5-bromo-3,4-dihydro-2H-pyran |
| IUPAC Name | 5-bromo-3,4-dihydro-2H-pyran |
| InChI | InChI=1S/C5H7BrO/c6-5-2-1-3-7-4-5/h4H,1-3H2 |
| InChI Key | BOKLDMFBZUFZGT-UHFFFAOYSA-N |
| MDL Number | MFCD20483699 |
| Molecular Formula | C5H7BrO |
| Molecular Weight | 163.0125 |
| SMILES | BrC1CCCOC=1 |
| Synonyms | 5-bromo-3,4-dihydro-2H-pyran,
26274-19-1,
2H-Pyran, 5-bromo-3,4-dihydro-,
3-bromo-5,6-dihydro-4H-pyran,
AC1NRZC1,
SCHEMBL3875466,
CTK0J3410,
DTXSID40416060,
BOKLDMFBZUFZGT-UHFFFAOYSA-N,
ZINC33836312,
AKOS024052319,
NE51583,
FT-0715227,
InChI=1/C5H7BrO/c6-5-2-1-3-7-4-5/h4H,1-3H,
CID5325865,
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| Complexity | 88.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.014g/mol |
| Monoisotopic Mass | 161.968g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number