| CAS Number | 108934-20-9 |
| Catalog Number | AG008ZFF(AGN-PC-0NB6UH) |
| Chemical Name | 4-(4-tert-Butylphenoxy)benzaldehyde |
| IUPAC Name | 4-(4-tert-butylphenoxy)benzaldehyde |
| InChI | InChI=1S/C17H18O2/c1-17(2,3)14-6-10-16(11-7-14)19-15-8-4-13(12-18)5-9-15/h4-12H,1-3H3 |
| InChI Key | OCZMDFXRKCGXFS-UHFFFAOYSA-N |
| MDL Number | MFCD08446988 |
| Molecular Formula | C17H18O2 |
| Molecular Weight | 254.3236 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)C=O |
| Synonyms | 4-(4-tert-Butylphenoxy)benzaldehyde,
108934-20-9,
4-(4-(tert-Butyl)phenoxy)benzaldehyde,
SCHEMBL6142358,
OCZMDFXRKCGXFS-UHFFFAOYSA-N,
ZX-RL001438,
4-[4-(t-butyl)phenoxy]benzaldehyde,
ZINC11891892,
AKOS005857274,
IMED335521939,
AS-8739,
OR110518,
4-[4-(tert-Butyl)phenoxy]benzaldehyde,
CID10824840,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.13068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.32g/mol |
| Monoisotopic Mass | 254.13068g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number