| CAS Number | 867023-45-8 |
| Catalog Number | AG01B1I8(AGN-PC-05DXTL) |
| Chemical Name | 4-(3-Bromophenoxy)benzaldehyde |
| IUPAC Name | 4-(3-bromophenoxy)benzaldehyde |
| InChI | InChI=1S/C13H9BrO2/c14-11-2-1-3-13(8-11)16-12-6-4-10(9-15)5-7-12/h1-9H |
| InChI Key | WOJPUZRGCMLGCY-UHFFFAOYSA-N |
| MDL Number | MFCD11156491 |
| Molecular Formula | C13H9BrO2 |
| Molecular Weight | 277.1134 |
| SMILES | BrC1=CC(OC2=CC=C(C=O)C=C2)=CC=C1 |
| Synonyms | 4-(3-bromophenoxy)benzaldehyde,
867023-45-8,
SCHEMBL260408,
ZINC20079601,
AKOS000260408,
NE15017,
A1-11537,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.117g/mol |
| Monoisotopic Mass | 275.979g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number