| CAS Number | 1515395-53-5 |
| Catalog Number | AG00IU33(AGN-PC-0WAZ53) |
| Chemical Name | 2-(Dimethylamino)-4-fluoro-3-formylbenzonitrile |
| IUPAC Name | 2-(dimethylamino)-4-fluoro-3-formylbenzonitrile |
| InChI | InChI=1S/C10H9FN2O/c1-13(2)10-7(5-12)3-4-9(11)8(10)6-14/h3-4,6H,1-2H3 |
| InChI Key | SZZAZAPLCUEMOM-UHFFFAOYSA-N |
| MDL Number | MFCD28101537 |
| Molecular Formula | C10H9FN2O |
| Molecular Weight | 192.1897 |
| SMILES | FC1(=C(C(N(C)C)=C(C#N)C=C1)C=O) |
| Synonyms | 2-(dimethylamino)-4-fluoro-3-formylbenzonitrile,
1515395-53-5,
ZINC75927009,
AKOS023126820,
FCH2694367,
PC210041,
KS-00002481,
CS-4336,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.193g/mol |
| Monoisotopic Mass | 192.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number