| CAS Number | 1549-77-5 |
| Catalog Number | AG001NH2(AGN-PC-0Q6T4E) |
| Chemical Name | 4-(4-Fluorophenoxy)Butanoic Acid |
| IUPAC Name | 4-(4-fluorophenoxy)butanoic acid |
| InChI | InChI=1S/C10H11FO3/c11-8-3-5-9(6-4-8)14-7-1-2-10(12)13/h3-6H,1-2,7H2,(H,12,13) |
| InChI Key | NOAUECWRUPGSOJ-UHFFFAOYSA-N |
| MDL Number | MFCD08446938 |
| Molecular Formula | C10H11FO3 |
| Molecular Weight | 198.1909 |
| SMILES | OC(CCCOC1=CC=C(F)C=C1)=O |
| Synonyms | 4-(4-fluorophenoxy)butanoic acid,
1549-77-5,
AC1Q75JA,
SCHEMBL3256041,
4-(4-fluorophenoxy)butyric acid,
CTK4C8479,
DTXSID10482075,
Butanoic acid,4-(4-fluorophenoxy)-,
ZINC11863861,
AKOS000200773,
Butanoic acid, 4-(4-fluorophenoxy)-,
MCULE-5070746749,
NE13915,
EN300-27466,
Z235347019,
4- BUTANOICACID,
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| Complexity | 176 |
| 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 | 1.8 |
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Certificate of Analysis
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