| CAS Number | 1212201-70-1 |
| Catalog Number | AG01AGP2 |
| Chemical Name | (R)-1-(2-Chloro-4-Fluorophenyl)Ethan-1-Amine |
| IUPAC Name | (1R)-1-(2-chloro-4-fluorophenyl)ethanamine |
| InChI | InChI=1S/C8H9ClFN/c1-5(11)7-3-2-6(10)4-8(7)9/h2-5H,11H2,1H3/t5-/m1/s1 |
| InChI Key | JTMGFESJCXOUCW-RXMQYKEDSA-N |
| MDL Number | MFCD07772555 |
| Molecular Formula | C8H9ClFN |
| Molecular Weight | 173.6152 |
| SMILES | ClC1=C(C=CC(=C1)F)[C@@H](C)N |
| Synonyms | (1R)-1-(2-chloro-4-fluorophenyl)ethan-1-amine,
1212201-70-1,
CTK7B8716,
AC1Q2989,
ZINC12506514,
AKOS010377725,
NE51527,
EN300-72474,
(1R)-1-(2-CHLORO-4-FLUOROPHENYL)ETHANAMINE,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.615g/mol |
| Monoisotopic Mass | 173.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number