| CAS Number | 160658-69-5 |
| Catalog Number | AG00AR06(AGN-PC-0N5P2O) |
| Chemical Name | 4-(Dimethylamino)-3-fluorobenzonitrile |
| IUPAC Name | 4-(dimethylamino)-3-fluorobenzonitrile |
| InChI | InChI=1S/C9H9FN2/c1-12(2)9-4-3-7(6-11)5-8(9)10/h3-5H,1-2H3 |
| InChI Key | UOHZUGYMWIKXBN-UHFFFAOYSA-N |
| MDL Number | MFCD12110121 |
| Molecular Formula | C9H9FN2 |
| Molecular Weight | 164.1796 |
| SMILES | N#CC1=CC=C(N(C)C)C(F)=C1 |
| Synonyms | 4-(dimethylamino)-3-fluorobenzonitrile,
160658-69-5,
SCHEMBL4303251,
ZINC36886598,
AKOS009852316,
AS06487,
CM10896,
MCULE-1440432761,
NE15402,
Benzonitrile, 4-(dimethylamino)-3-fluoro-,
4-dimethylamino-3-fluoro-benzonitrile,
CID10511216,
|
| 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