| CAS Number | 548798-23-8 |
| Catalog Number | AG019EQH(AGN-PC-0KT4N6) |
| Chemical Name | 5-(Dimethylamino)-2-nitrobenzaldehyde |
| IUPAC Name | 5-(dimethylamino)-2-nitrobenzaldehyde |
| InChI | InChI=1S/C9H10N2O3/c1-10(2)8-3-4-9(11(13)14)7(5-8)6-12/h3-6H,1-2H3 |
| InChI Key | MLZVRZSAMSFHHP-UHFFFAOYSA-N |
| MDL Number | MFCD05148755 |
| Molecular Formula | C9H10N2O3 |
| Molecular Weight | 194.1873 |
| SMILES | CN(C1=CC(C=O)=C([N+]([O-])=O)C=C1)C |
| Synonyms | 5-(dimethylamino)-2-nitrobenzaldehyde,
548798-23-8,
AC1MO6H0,
SCHEMBL2502259,
ZINC6351307,
MFCD05148755,
AKOS030524517,
CS-0059765,
FT-0760811,
5-dimethylamino-2-nitro-benzaldehyde,
CID3364223,
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| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.19g/mol |
| Monoisotopic Mass | 194.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number