| CAS Number | 1541976-46-8 |
| Catalog Number | AG01FN1Q(AGN-PC-3H5NA3) |
| Chemical Name | 2,6-Difluoro-3-formylbenzonitrile |
| IUPAC Name | 2,6-difluoro-3-formylbenzonitrile |
| InChI | InChI=1S/C8H3F2NO/c9-7-2-1-5(4-12)8(10)6(7)3-11/h1-2,4H |
| InChI Key | RCAHEIDQEALMTO-UHFFFAOYSA-N |
| MDL Number | MFCD26687933 |
| Molecular Formula | C8H3F2NO |
| Molecular Weight | 167.1123 |
| SMILES | N#CC1=C(F)C(C=O)=CC=C1F |
| Synonyms | 2,6-Difluoro-3-formylbenzonitrile,
1541976-46-8,
MFCD26687933,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.115g/mol |
| Monoisotopic Mass | 167.018g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number