| CAS Number | 1154275-78-1 |
| Catalog Number | AG01AA96 |
| Chemical Name | 5-(4-fluorophenoxy)isoquinolin-8-amine |
| IUPAC Name | 5-(4-fluorophenoxy)isoquinolin-8-amine |
| InChI | InChI=1S/C15H11FN2O/c16-10-1-3-11(4-2-10)19-15-6-5-14(17)13-9-18-8-7-12(13)15/h1-9H,17H2 |
| InChI Key | UGLMJPBIBIZJJZ-UHFFFAOYSA-N |
| MDL Number | MFCD12668753 |
| Molecular Formula | C15H11FN2O |
| Molecular Weight | 254.2590 |
| SMILES | NC1=C2C(C=CN=C2)=C(OC2=CC=C(F)C=C2)C=C1 |
| Synonyms | 5-(4-fluorophenoxy)isoquinolin-8-amine,
1154275-78-1,
AC1Q51BZ,
ZINC35333052,
AKOS009487300,
MCULE-9645160411,
NE32071,
EN300-67521,
Z1263602358,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.264g/mol |
| Monoisotopic Mass | 254.086g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number