| CAS Number | 1016798-28-9 |
| Catalog Number | AG019R6U |
| Chemical Name | 3-(Aminomethyl)-4-fluorobenzonitrile |
| IUPAC Name | 3-(aminomethyl)-4-fluorobenzonitrile |
| InChI | InChI=1S/C8H7FN2/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3H,5,11H2 |
| InChI Key | CBGQYNXOSNYCDA-UHFFFAOYSA-N |
| MDL Number | MFCD09947814 |
| Molecular Formula | C8H7FN2 |
| Molecular Weight | 150.153 |
| SMILES | NCC1=C(F)C=CC(C#N)=C1 |
| Synonyms | 3-(aminomethyl)-4-fluorobenzonitrile,
1016798-28-9,
AC1Q53SB,
5-Cyano-2-fluorobenzylamine,
SCHEMBL18493859,
CTK7E4014,
ZINC19512670,
AKOS000192858,
MCULE-2963798120,
EN300-89142,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.156g/mol |
| Monoisotopic Mass | 150.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number