| CAS Number | 1096828-31-7 |
| Catalog Number | AG01A507 |
| Chemical Name | methyl 4-(2-fluorophenoxy)butanoate |
| IUPAC Name | methyl 4-(2-fluorophenoxy)butanoate |
| InChI | InChI=1S/C11H13FO3/c1-14-11(13)7-4-8-15-10-6-3-2-5-9(10)12/h2-3,5-6H,4,7-8H2,1H3 |
| InChI Key | WJHGOMVMNRMMTJ-UHFFFAOYSA-N |
| MDL Number | MFCD12168354 |
| Molecular Formula | C11H13FO3 |
| Molecular Weight | 212.2175 |
| SMILES | COC(CCCOC1=C(F)C=CC=C1)=O |
| Synonyms | methyl 4-(2-fluorophenoxy)butanoate,
1096828-31-7,
SCHEMBL14314439,
ZINC37286736,
AKOS005363292,
MCULE-8202124984,
NE41283,
Z426108860,
4-(2-fluorophenoxy)-butanoic acid, methyl ester,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.22g/mol |
| Monoisotopic Mass | 212.085g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number