| CAS Number | 1072944-62-7 |
| Catalog Number | AG003JZ2(AGN-PC-07XU4Z) |
| Chemical Name | 4-(2-Bromo-4-Nitrophenoxy)Tetrahydro-2H-Pyran |
| IUPAC Name | 4-(2-bromo-4-nitrophenoxy)oxane |
| InChI | InChI=1S/C11H12BrNO4/c12-10-7-8(13(14)15)1-2-11(10)17-9-3-5-16-6-4-9/h1-2,7,9H,3-6H2 |
| InChI Key | YSKAVPMKTKFJEA-UHFFFAOYSA-N |
| MDL Number | MFCD11504903 |
| Molecular Formula | C11H12BrNO4 |
| Molecular Weight | 302.1213 |
| SMILES | O=[N+](C1=CC=C(OC2CCOCC2)C(Br)=C1)[O-] |
| Synonyms | 4-(2-BROMO-4-NITROPHENOXY)TETRAHYDRO-2H-PYRAN,
1072944-62-7,
ACMC-2098p7,
CTK4A5157,
DTXSID50674790,
4-(2-bromo-4-nitrophenoxy)oxane,
ANW-15545,
MFCD11504903,
ZINC38537234,
AKOS015835543,
RTR-001462,
AJ-95995,
AX8228745,
ST2405322,
TR-001462,
Z6969,
A-4461,
I14-24990,
C11H12BrNO4,
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| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.124g/mol |
| Monoisotopic Mass | 300.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number