| CAS Number | 2044773-58-0 |
| Catalog Number | AG01B6RZ |
| Chemical Name | 2,3,4-Trifluoro-5-nitrobenzaldehyde |
| IUPAC Name | 2,3,4-trifluoro-5-nitrobenzaldehyde |
| InChI | InChI=1S/C7H2F3NO3/c8-5-3(2-12)1-4(11(13)14)6(9)7(5)10/h1-2H |
| InChI Key | XNGHOTIOBPMWOL-UHFFFAOYSA-N |
| MDL Number | MFCD30476131 |
| Molecular Formula | C7H2F3NO3 |
| Molecular Weight | 205.0909 |
| SMILES | [O-][N+](C1=C(F)C(F)=C(F)C(C=O)=C1)=O |
| Synonyms | 2,3,4-trifluoro-5-nitrobenzaldehyde,
2044773-58-0,
SCHEMBL16938803,
ZINC521399266,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.092g/mol |
| Monoisotopic Mass | 204.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number