| CAS Number | 953786-95-3 |
| Catalog Number | AG01C5CQ |
| Chemical Name | 2-[2-(3-Fluorophenyl)ethoxy]acetic acid |
| IUPAC Name | 2-[2-(3-fluorophenyl)ethoxy]acetic acid |
| InChI | InChI=1S/C10H11FO3/c11-9-3-1-2-8(6-9)4-5-14-7-10(12)13/h1-3,6H,4-5,7H2,(H,12,13) |
| InChI Key | ZQZNDNBZRCYWAU-UHFFFAOYSA-N |
| MDL Number | MFCD19370110 |
| Molecular Formula | C10H11FO3 |
| Molecular Weight | 198.1909 |
| SMILES | OC(COCCC1=CC(F)=CC=C1)=O |
| Synonyms | 2-[2-(3-fluorophenyl)ethoxy]acetic acid,
953786-95-3,
[2-(3-Fluorophenyl)ethoxy]acetic acid,
SCHEMBL1623271,
ZQZNDNBZRCYWAU-UHFFFAOYSA-N,
ZINC57937738,
AKOS022393475,
[2-(3-fluoro-phenyl)-ethoxy]-acetic acid,
A1-09802,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.193g/mol |
| Monoisotopic Mass | 198.069g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number