| CAS Number | 102844-90-6 |
| Catalog Number | AG009SAD(AGN-PC-0NGC6Q) |
| Chemical Name | 3-Nitro-4-(trifluoromethyl)benzaldehyde |
| IUPAC Name | 3-nitro-4-(trifluoromethyl)benzaldehyde |
| InChI | InChI=1S/C8H4F3NO3/c9-8(10,11)6-2-1-5(4-13)3-7(6)12(14)15/h1-4H |
| InChI Key | YWJKCPJLZJWAGV-UHFFFAOYSA-N |
| MDL Number | MFCD05664203 |
| Molecular Formula | C8H4F3NO3 |
| Molecular Weight | 219.1175 |
| SMILES | [O-][N+](=O)C1=CC(C=O)=CC=C1C(F)(F)F |
| Synonyms | 3-nitro-4-(trifluoromethyl)benzaldehyde,
102844-90-6,
CID11127762,
SCHEMBL3859766,
YWJKCPJLZJWAGV-UHFFFAOYSA-N,
ZINC2548211,
ZX-AP001986,
3-nitro-4-trifluoromethylbenzaldehyde,
MFCD05664203,
PC49354,
AS-42795,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.119g/mol |
| Monoisotopic Mass | 219.014g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number