| CAS Number | 51448-33-0 |
| Catalog Number | AG019X84 |
| Chemical Name | 1-Amino-3-(4-fluorophenoxy)propan-2-ol |
| IUPAC Name | 1-amino-3-(4-fluorophenoxy)propan-2-ol |
| InChI | InChI=1S/C9H12FNO2/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,12H,5-6,11H2 |
| InChI Key | LKRGICBCCHGVLQ-UHFFFAOYSA-N |
| MDL Number | MFCD07440124 |
| Molecular Formula | C9H12FNO2 |
| Molecular Weight | 185.1955 |
| SMILES | NCC(COC1=CC=C(F)C=C1)O |
| Synonyms | 1-amino-3-(4-fluorophenoxy)propan-2-ol,
51448-33-0,
SCHEMBL768291,
AC1Q53P2,
CTK7E3312,
LKRGICBCCHGVLQ-UHFFFAOYSA-N,
AKOS000139240,
AKOS016043741,
MCULE-5142647957,
NE32082,
EN300-54317,
rac-1-amino-3-(4-fluorophenoxy)propan-2-ol,
rac-1-amino-3-(4-fluorophenoxyl)propan-2-ol,
AB01000688-01,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.198g/mol |
| Monoisotopic Mass | 185.085g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number