| CAS Number | 1187927-96-3 |
| Catalog Number | AG008ROP |
| Chemical Name | 4-(Aminomethyl)-2-fluorobenzonitrile hydrochloride |
| IUPAC Name | 4-(aminomethyl)-2-fluorobenzonitrile;hydrochloride |
| InChI | InChI=1S/C8H7FN2.ClH/c9-8-3-6(4-10)1-2-7(8)5-11;/h1-3H,4,10H2;1H |
| InChI Key | DLOVWJARVJZANC-UHFFFAOYSA-N |
| MDL Number | MFCD09027323 |
| Molecular Formula | C8H8ClFN2 |
| Molecular Weight | 186.6139 |
| SMILES | Cl.NCC1=CC(=C(C#N)C=C1)F |
| Synonyms | 4-(aminomethyl)-2-fluorobenzonitrile hydrochloride,
1187927-96-3,
4-(AMINOMETHYL)-2-FLUOROBENZONITRILE HCL,
4-AMINOMETHYL-2-FLUORO-BENZONITRILE HYDROCHLORIDE,
SCHEMBL6778748,
DTXSID60634542,
2511AJ,
AB2617,
MFCD09027323,
AKOS022185412,
NE63337,
AS-44642,
A840977,
Z2239081609,
4-(aminomethyl)-2-fluoranyl-benzenecarbonitrile hydrochloride,
4-(Aminomethyl)-2-fluorobenzonitrile--hydrogen chloride (1/1),
4-Aminomethyl-2-fluoro-benzonitrile hydrochloride, AldrichCPR,
C8H7FN2.HCl,
849020-94-6,
|
| 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