| CAS Number | 1189353-13-6 |
| Catalog Number | AG01A1M3 |
| Chemical Name | 4-(Dimethylamino)-2-fluorobenzonitrile |
| IUPAC Name | 4-(dimethylamino)-2-fluorobenzonitrile |
| InChI | InChI=1S/C9H9FN2/c1-12(2)8-4-3-7(6-11)9(10)5-8/h3-5H,1-2H3 |
| InChI Key | SVOYAOFLYPEFHI-UHFFFAOYSA-N |
| MDL Number | MFCD22421887 |
| Molecular Formula | C9H9FN2 |
| Molecular Weight | 164.1796 |
| SMILES | CN(C)C1=CC(=C(C=C1)C#N)F |
| Synonyms | 4-(dimethylamino)-2-fluorobenzonitrile,
1189353-13-6,
SCHEMBL4300509,
ZINC75847055,
AKOS020185454,
MCULE-3184944471,
NE16949,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.183g/mol |
| Monoisotopic Mass | 164.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number