| CAS Number | 730913-16-3 |
| Catalog Number | AG01B9ON |
| Chemical Name | 2-(4-Chlorophenyl)-2,2-difluoroethan-1-amine |
| IUPAC Name | 2-(4-chlorophenyl)-2,2-difluoroethanamine |
| InChI | InChI=1S/C8H8ClF2N/c9-7-3-1-6(2-4-7)8(10,11)5-12/h1-4H,5,12H2 |
| InChI Key | FKSAXFLYFHIUDO-UHFFFAOYSA-N |
| MDL Number | MFCD20699836 |
| Molecular Formula | C8H8ClF2N |
| Molecular Weight | 191.6056 |
| SMILES | NCC(C1=CC=C(Cl)C=C1)(F)F |
| Synonyms | 2-(4-CHLOROPHENYL)-2,2-DIFLUOROETHAN-1-AMINE,
730913-16-3,
MFCD20699836,
ZINC95764059,
AKOS017529987,
AB76550,
4-Chloro-beta, beta-difluorophenethylamine,
F8885-2915,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.606g/mol |
| Monoisotopic Mass | 191.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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