| CAS Number | 726151-45-7 |
| Catalog Number | AG00ICAC |
| Chemical Name | 4-(4-tert-Butyl-phenoxy)-3-nitro-benzaldehyde |
| IUPAC Name | 4-(4-tert-butylphenoxy)-3-nitrobenzaldehyde |
| InChI | InChI=1S/C17H17NO4/c1-17(2,3)13-5-7-14(8-6-13)22-16-9-4-12(11-19)10-15(16)18(20)21/h4-11H,1-3H3 |
| InChI Key | VUZJGTKCIXGAGD-UHFFFAOYSA-N |
| MDL Number | MFCD03964557 |
| Molecular Formula | C17H17NO4 |
| Molecular Weight | 299.3212 |
| SMILES | CC(C1=CC=C(OC2=C([N+]([O-])=O)C=C(C=O)C=C2)C=C1)(C)C |
| Synonyms | 4-(4-tert-butylphenoxy)-3-nitrobenzaldehyde,
4-(4-tert-Butyl-phenoxy)-3-nitro-benzaldehyde,
726151-45-7,
AC1M5RVG,
AC1Q1M8W,
SCHEMBL13220948,
CTK7H9153,
ZINC3267923,
MFCD03964557,
AKOS001072793,
MCULE-7959745387,
NE44258,
EN300-04764,
4-(4-tert-Butyl-phenoxy)-3-nitro-benzaldehyde, AldrichCPR,
ZINC03267923,
CID2384251,
|
| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.326g/mol |
| Monoisotopic Mass | 299.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number