| CAS Number | 93102-98-8 |
| Catalog Number | AG01BFGI(AGN-PC-00LWC4) |
| Chemical Name | 1-amino-3-(4-fluorophenyl)propan-2-one hydrochloride |
| IUPAC Name | 1-amino-3-(4-fluorophenyl)propan-2-one;hydrochloride |
| InChI | InChI=1S/C9H10FNO.ClH/c10-8-3-1-7(2-4-8)5-9(12)6-11;/h1-4H,5-6,11H2;1H |
| InChI Key | VBMYQIHLHULBJC-UHFFFAOYSA-N |
| MDL Number | MFCD11848417 |
| Molecular Formula | C9H11ClFNO |
| Molecular Weight | 203.6411 |
| SMILES | Cl.NCC(CC1=CC=C(F)C=C1)=O |
| Synonyms | 93102-98-8,
1-AMINO-3-(4-FLUOROPHENYL)PROPAN-2-ONE HYDROCHLORIDE,
SCHEMBL754433,
VBMYQIHLHULBJC-UHFFFAOYSA-N,
AKOS028113842,
NE52021,
SC-29767,
1-amino-3-(4-fluorophenyl)propan-2-one HCl,
1-amino-3-(4-fluorophenyl)propan-2-one.HCl,
1-amino-3-(4-fluorophenyl)propan-2-one hydrochlori,
1-amino-3-(4-fluoro-phenyl)-propan-2-one hydrochloride,
Z1889902528,
2-Propanone, 1-amino-3-(4-fluorophenyl)-, hydrochloride,
1-Amino-3-(4-fluorophenyl)propan-2-onehydrochloride,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.641g/mol |
| Monoisotopic Mass | 203.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number