| CAS Number | 172685-68-6 |
| Catalog Number | AG007VPF(AGN-PC-0KZ1NJ) |
| Chemical Name | 2-[(3-bromobenzyl)oxy]benzaldehyde |
| IUPAC Name | 2-[(3-bromophenyl)methoxy]benzaldehyde |
| InChI | InChI=1S/C14H11BrO2/c15-13-6-3-4-11(8-13)10-17-14-7-2-1-5-12(14)9-16/h1-9H,10H2 |
| InChI Key | YASCLTFMVVWLAN-UHFFFAOYSA-N |
| MDL Number | MFCD00553743 |
| Molecular Formula | C14H11BrO2 |
| Molecular Weight | 291.1399 |
| SMILES | C1(=CC=CC=C1OCC1C=CC=C(Br)C=1)C=O |
| Synonyms | 2-[(3-bromobenzyl)oxy]benzaldehyde,
172685-68-6,
2-[(3-bromophenyl)methoxy]benzaldehyde,
2-((3-Bromobenzyl)oxy)benzaldehyde,
AC1MVWTH,
CTK4D4310,
DTXSID50395413,
ALBB-001210,
ZINC2566617,
5557AD,
BBL016789,
MFCD00553743,
STK434671,
AKOS000249644,
MCULE-8787040660,
AJ-41307,
TR-051517,
ST50842705,
W-7296,
C14H11BrO2,
CID3714802,
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| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.144g/mol |
| Monoisotopic Mass | 289.994g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number