| CAS Number | 1017117-65-5 |
| Catalog Number | AG019SC2(AGN-PC-0WOQ8K) |
| Chemical Name | 2-(2-Fluorophenyl)-2-morpholinoacetic acid |
| IUPAC Name | 2-(2-fluorophenyl)-2-morpholin-4-ylacetic acid |
| InChI | InChI=1S/C12H14FNO3/c13-10-4-2-1-3-9(10)11(12(15)16)14-5-7-17-8-6-14/h1-4,11H,5-8H2,(H,15,16) |
| InChI Key | USMNBHYRDJXRLK-UHFFFAOYSA-N |
| MDL Number | MFCD09888532 |
| Molecular Formula | C12H14FNO3 |
| Molecular Weight | 239.2429 |
| SMILES | OC(C(C1=C(F)C=CC=C1)N1CCOCC1)=O |
| Synonyms | 2-(2-fluorophenyl)-2-(morpholin-4-yl)acetic acid,
1017117-65-5,
2-(2-Fluorophenyl)-2-morpholinoacetic acid,
SBB079547,
AKOS005265463,
MCULE-3425561450,
NE24774,
BS-12308,
(2-fluorophenyl)morpholin-4-ylacetic acid,
(2-fluorophenyl)(morpholin-4-yl)acetic acid,
EN300-93092,
2-(2-fluorophenyl)-2-morpholin-4-ylacetic acid,
Z1267885904,
(2-Fluoro-phenyl)-morpholin-4-yl-acetic acid,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.246g/mol |
| Monoisotopic Mass | 239.096g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number