| CAS Number | 1311315-38-4 |
| Catalog Number | AG01AHCM(AGN-PC-0WOQPO) |
| Chemical Name | 1-(2,4-dichloro-5-fluorophenyl)ethan-1-amine hydrochloride |
| IUPAC Name | 1-(2,4-dichloro-5-fluorophenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C8H8Cl2FN.ClH/c1-4(12)5-2-8(11)7(10)3-6(5)9;/h2-4H,12H2,1H3;1H |
| InChI Key | OPFAKCCCEVMAOR-UHFFFAOYSA-N |
| MDL Number | MFCD18483289 |
| Molecular Formula | C8H9Cl3FN |
| Molecular Weight | 244.5212 |
| SMILES | Cl.CC(C1=C(Cl)C=C(Cl)C(F)=C1)N |
| Synonyms | 1-(2,4-dichloro-5-fluorophenyl)ethan-1-amine hydrochloride,
1311315-38-4,
AKOS026741226,
NE49788,
EN300-74319,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.978g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.515g/mol |
| Monoisotopic Mass | 242.978g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number