| CAS Number | 18085-61-5 |
| Catalog Number | AG01DZ13 |
| Chemical Name | 3-(4-Bromophenoxy)-pyridine |
| IUPAC Name | 3-(4-bromophenoxy)pyridine |
| InChI | InChI=1S/C11H8BrNO/c12-9-3-5-10(6-4-9)14-11-2-1-7-13-8-11/h1-8H |
| InChI Key | ARFFAYAYZONBST-UHFFFAOYSA-N |
| MDL Number | MFCD27946368 |
| Molecular Formula | C11H8BrNO |
| Molecular Weight | 250.0913 |
| SMILES | BrC1=CC=C(OC2=CC=CN=C2)C=C1 |
| Synonyms | 3-(4-bromophenoxy)-pyridine,
18085-61-5,
Pyridine, 3-(4-bromophenoxy)-,
3-(4-bromophenoxy)pyridine,
SCHEMBL788675,
CHEMBL117901,
ARFFAYAYZONBST-UHFFFAOYSA-N,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.095g/mol |
| Monoisotopic Mass | 248.979g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number