| CAS Number | 726151-04-8 |
| Catalog Number | AG00ICAB |
| Chemical Name | 4-(Methyl(phenyl)amino)-3-nitrobenzaldehyde |
| IUPAC Name | 4-(N-methylanilino)-3-nitrobenzaldehyde |
| InChI | InChI=1S/C14H12N2O3/c1-15(12-5-3-2-4-6-12)13-8-7-11(10-17)9-14(13)16(18)19/h2-10H,1H3 |
| InChI Key | ZFYDGHJACOWZDU-UHFFFAOYSA-N |
| MDL Number | MFCD03964549 |
| Molecular Formula | C14H12N2O3 |
| Molecular Weight | 256.2567 |
| SMILES | CN(C1=C([N+]([O-])=O)C=C(C=O)C=C1)C1=CC=CC=C1 |
| Synonyms | 4-(Methyl-phenyl-amino)-3-nitro-benzaldehyde,
726151-04-8,
4-[methyl(phenyl)amino]-3-nitrobenzaldehyde,
4-(Methyl(phenyl)amino)-3-nitrobenzaldehyde,
AC1MWHH5,
AC1Q3X43,
CTK7H9145,
ZINC3886116,
MFCD03964549,
AKOS001074168,
MCULE-4952975918,
NE44024,
4-(N-methylanilino)-3-nitrobenzaldehyde,
EN300-04670,
SR-01000039456,
SR-01000039456-1,
ZINC03886116,
CID3749283,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.261g/mol |
| Monoisotopic Mass | 256.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number