| CAS Number | 1247383-27-2 |
| Catalog Number | AG000MOP(AGN-PC-09PV4E) |
| Chemical Name | 4-((4-Bromophenoxy)methyl)tetrahydro-2H-pyran |
| IUPAC Name | 4-[(4-bromophenoxy)methyl]oxane |
| InChI | InChI=1S/C12H15BrO2/c13-11-1-3-12(4-2-11)15-9-10-5-7-14-8-6-10/h1-4,10H,5-9H2 |
| InChI Key | CRGSWKUNFYCFDU-UHFFFAOYSA-N |
| MDL Number | MFCD16745759 |
| Molecular Formula | C12H15BrO2 |
| Molecular Weight | 271.1503 |
| SMILES | BrC1=CC=C(OCC2CCOCC2)C=C1 |
| Synonyms | 1247383-27-2,
4-((4-BROMOPHENOXY)METHYL)TETRAHYDRO-2H-PYRAN,
4-[(4-bromophenoxy)methyl]oxane,
4-(4-bromophenoxymethyl)oxane,
ACMC-209at4,
CTK4B4059,
DTXSID30681301,
ANW-18278,
MFCD16745759,
ZINC52172891,
AKOS011672811,
MCULE-8772891314,
TR-035071,
Z8828,
B-2383,
2H-Pyran, 4-[(4-bromophenoxy)methyl]tetrahydro-,
I14-24998,
Z1224512213,
C12H15BrO2,
|
| Complexity | 173 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number