| CAS Number | 708254-50-6 |
| Catalog Number | AG00IVFE(AGN-PC-0WAVLU) |
| Chemical Name | 2-(4-Chlorophenoxy)-5-nitrobenzaldehyde |
| IUPAC Name | 2-(4-chlorophenoxy)-5-nitrobenzaldehyde |
| InChI | InChI=1S/C13H8ClNO4/c14-10-1-4-12(5-2-10)19-13-6-3-11(15(17)18)7-9(13)8-16/h1-8H |
| InChI Key | FDCAQRFRFKUGRT-UHFFFAOYSA-N |
| MDL Number | MFCD08056655 |
| Molecular Formula | C13H8ClNO4 |
| Molecular Weight | 277.6599 |
| SMILES | ClC2(=CC=C(OC1(=C(C=C([N+](=O)[O-])C=C1)C=O))C=C2) |
| Synonyms | 2-(4-chlorophenoxy)-5-nitrobenzenecarbaldehyde,
2-(4-chlorophenoxy)-5-nitrobenzaldehyde,
708254-50-6,
AC1PCM91,
CTK7H8763,
ZINC7610250,
MFCD08056655,
AKOS005070854,
RP15367,
KS-00001Z10,
AJ-57202,
TR-063723,
6Z-0813,
ZINC07610250,
CID8714477,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.66g/mol |
| Monoisotopic Mass | 277.014g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number