| CAS Number | 50961-54-1 |
| Catalog Number | AG003K4R(AGN-PC-0LGGWS) |
| Chemical Name | 4-(4-Nitrophenoxy)benzaldehyde |
| IUPAC Name | 4-(4-nitrophenoxy)benzaldehyde |
| InChI | InChI=1S/C13H9NO4/c15-9-10-1-5-12(6-2-10)18-13-7-3-11(4-8-13)14(16)17/h1-9H |
| InChI Key | OCHOSUFDGPHRJA-UHFFFAOYSA-N |
| MDL Number | MFCD06496623 |
| Molecular Formula | C13H9NO4 |
| Molecular Weight | 243.2149 |
| SMILES | O=CC1=CC=C(OC2=CC=C([N+]([O-])=O)C=C2)C=C1 |
| Synonyms | 4-(4-Nitrophenoxy)benzaldehyde,
50961-54-1,
ACMC-20amvm,
AC1NHG7J,
SCHEMBL1858711,
CTK4J3404,
DTXSID20406282,
OCHOSUFDGPHRJA-UHFFFAOYSA-N,
5468AH,
MFCD06496623,
ZINC12956526,
AKOS002664849,
4-(4-Nitrophenoxy)benzaldehyde, 97%,
DB-071281,
TC-169321,
FT-0708783,
K-9405,
4- BENZALDEHYDE97,
C13H9NO4,
CID4739591,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.218g/mol |
| Monoisotopic Mass | 243.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
Certificate of Analysis
Lot Number