| CAS Number | 528881-31-4 |
| Catalog Number | AG00DADA(AGN-PC-03JOE3) |
| Chemical Name | 2-((4-Bromophenoxy)methyl)tetrahydro-2H-pyran |
| IUPAC Name | 2-[(4-bromophenoxy)methyl]oxane |
| InChI | InChI=1S/C12H15BrO2/c13-10-4-6-11(7-5-10)15-9-12-3-1-2-8-14-12/h4-7,12H,1-3,8-9H2 |
| InChI Key | CVNGXKCLSDSPQK-UHFFFAOYSA-N |
| MDL Number | MFCD12562608 |
| Molecular Formula | C12H15BrO2 |
| Molecular Weight | 271.1503 |
| SMILES | BrC1=CC=C(OCC2CCCCO2)C=C1 |
| Synonyms | 2-((4-BROMOPHENOXY)METHYL)TETRAHYDRO-2H-PYRAN,
528881-31-4,
ACMC-209l2i,
SCHEMBL6072643,
CTK4J6678,
DTXSID00622029,
2-[(4-Bromophenoxy)methyl]oxane,
ANW-31576,
MFCD12562608,
AKOS008948581,
TR-036989,
V6415,
K-9628,
I14-24997,
C12H15BrO2,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.154g/mol |
| Monoisotopic Mass | 270.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number