| CAS Number | 879093-07-9 |
| Catalog Number | AG00H2FF(AGN-PC-0C94MZ) |
| Chemical Name | 2,5-Difluoro-4-methylbenzaldehyde |
| IUPAC Name | 2,5-difluoro-4-methylbenzaldehyde |
| InChI | InChI=1S/C8H6F2O/c1-5-2-8(10)6(4-11)3-7(5)9/h2-4H,1H3 |
| InChI Key | WPWOEUBXPUQBIK-UHFFFAOYSA-N |
| MDL Number | MFCD16250131 |
| Molecular Formula | C8H6F2O |
| Molecular Weight | 156.1294 |
| SMILES | CC1=C(F)C=C(C=O)C(F)=C1 |
| Synonyms | 2,5-difluoro-4-methylbenzaldehyde,
879093-07-9,
Benzaldehyde, 2,5-difluoro-4-methyl-,
SCHEMBL5504159,
ZINC83137944,
AKOS017515042,
A1-07822,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.132g/mol |
| Monoisotopic Mass | 156.039g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number