| CAS Number | 1951441-62-5 |
| Catalog Number | AG00I39S(AGN-PC-0WQZ8C) |
| Chemical Name | 2,4,6-Trifluoro-3,5-dimethylbenzaldehyde |
| IUPAC Name | 2,4,6-trifluoro-3,5-dimethylbenzaldehyde |
| InChI | InChI=1S/C9H7F3O/c1-4-7(10)5(2)9(12)6(3-13)8(4)11/h3H,1-2H3 |
| InChI Key | NKWMSSLDNQBQJS-UHFFFAOYSA-N |
| MDL Number | MFCD29764385 |
| Molecular Formula | C9H7F3O |
| Molecular Weight | 188.1465 |
| SMILES | CC1=C(F)C(C=O)=C(F)C(C)=C1F |
| Synonyms | 2,4,6-Trifluoro-3,5-dimethylbenzaldehyde,
1951441-62-5,
SCHEMBL10482474,
ZINC217456629,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.149g/mol |
| Monoisotopic Mass | 188.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number