| CAS Number | 1354951-19-1 |
| Catalog Number | AG019S4Q |
| Chemical Name | 3-(aminomethyl)-4-fluorobenzonitrile hydrochloride |
| IUPAC Name | 3-(aminomethyl)-4-fluorobenzonitrile;hydrochloride |
| InChI | InChI=1S/C8H7FN2.ClH/c9-8-2-1-6(4-10)3-7(8)5-11;/h1-3H,5,11H2;1H |
| InChI Key | HIYDXMWZHARIBY-UHFFFAOYSA-N |
| MDL Number | MFCD20501964 |
| Molecular Formula | C8H8ClFN2 |
| Molecular Weight | 186.6139 |
| SMILES | Cl.NCC1=C(F)C=CC(C#N)=C1 |
| Synonyms | 3-(aminomethyl)-4-fluorobenzonitrile hydrochloride,
1354951-19-1,
MFCD20501964,
AKOS024015378,
MCULE-1393538907,
NE37805,
EN300-91780,
3-(Aminomethyl)-4-fluorobenzonitrile hydrochloride, 95%,
Z1267773678,
1016798-28-9,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.614g/mol |
| Monoisotopic Mass | 186.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number