| CAS Number | 1354963-08-8 |
| Catalog Number | AG019SBP(AGN-PC-0WALJL) |
| Chemical Name | 4-(Aminomethyl)-3-fluorobenzonitrile hydrochloride |
| IUPAC Name | 4-(aminomethyl)-3-fluorobenzonitrile;hydrochloride |
| InChI | InChI=1S/C8H7FN2.ClH/c9-8-3-6(4-10)1-2-7(8)5-11;/h1-3H,5,11H2;1H |
| InChI Key | JRAJZEDEPYPARN-UHFFFAOYSA-N |
| MDL Number | MFCD20502021 |
| Molecular Formula | C8H8ClFN2 |
| Molecular Weight | 186.6139 |
| SMILES | N#CC1=CC=C(CN)C(F)=C1.[H]Cl |
| Synonyms | 4-(Aminomethyl)-3-fluorobenzonitrile hydrochloride,
1354963-08-8,
4-(AMINOMETHYL)-3-FLUOROBENZONITRILE HCL,
DTXSID90712428,
MFCD20502021,
NE32663,
AS-43145,
V4714,
EN300-93057,
4-(Aminomethyl)-3-fluorobenzonitrile--hydrogen chloride (1/1),
C8H7FN2.HCl,
|
| 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