| CAS Number | 1270391-53-1 |
| Catalog Number | AG009Z91(AGN-PC-0WNPWT) |
| Chemical Name | 1-(5-Chloro-2-fluorophenyl)ethan-1-amine hydrochloride |
| IUPAC Name | 1-(5-chloro-2-fluorophenyl)ethanamine |
| InChI | InChI=1S/C8H9ClFN/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5H,11H2,1H3 |
| InChI Key | ZZXFFISCWUZQPY-UHFFFAOYSA-N |
| MDL Number | MFCD18705334 |
| Molecular Formula | C8H9ClFN |
| Molecular Weight | 173.6152 |
| SMILES | ClC=1C=CC(=C(C1)C(C)N)F |
| Synonyms | 1270391-53-1,
1-(5-Chloro-2-fluorophenyl)ethanamine,
1-(5-Chloro-2-fluorophenyl)ethylamine,
1-(5-chloro-2-fluorophenyl)ethan-1-amine,
(1S)-1-(5-chloro-2-fluorophenyl)ethan-1-amine,
1228557-23-0,
SCHEMBL19634066,
MFCD18705334,
AKOS006345625,
1-(5-CHLORO-2-FLUOROPHENYL)ETHYLAMINE-HCL,
(1R)-1-(5-CHLORO-2-FLUOROPHENYL)ETHYLAMINE,
(1S)-1-(5-CHLORO-2-FLUOROPHENYL)ETHYLAMINE,
1217464-96-4,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number