| CAS Number | 1049678-35-4 |
| Catalog Number | AG00J3ZD |
| Chemical Name | N-(2-chloro-6-fluorobenzyl)-2-propen-1-amine hydrochloride |
| IUPAC Name | N-[(2-chloro-6-fluorophenyl)methyl]prop-2-en-1-amine;hydrochloride |
| InChI | InChI=1S/C10H11ClFN.ClH/c1-2-6-13-7-8-9(11)4-3-5-10(8)12;/h2-5,13H,1,6-7H2;1H |
| InChI Key | FNLXBXVLTRXLOB-UHFFFAOYSA-N |
| MDL Number | MFCD07107838 |
| Molecular Formula | C10H12Cl2FN |
| Molecular Weight | 236.1134 |
| SMILES | C1(CNCC=C)C(=CC=CC=1F)Cl.Cl |
| Synonyms | N-(2-Chloro-6-fluorobenzyl)-2-propen-1-amine hydrochloride,
1049678-35-4,
ZX-CM017990,
MFCD07107838,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.111g/mol |
| Monoisotopic Mass | 235.033g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number