| CAS Number | 127556-94-9 |
| Catalog Number | AG019Y0F(AGN-PC-0WC02N) |
| Chemical Name | 4-(2,4-Difluorophenoxy)butanoic acid |
| IUPAC Name | 4-(2,4-difluorophenoxy)butanoic acid |
| InChI | InChI=1S/C10H10F2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14) |
| InChI Key | AHUNOOHLCXZVML-UHFFFAOYSA-N |
| MDL Number | MFCD07403141 |
| Molecular Formula | C10H10F2O3 |
| Molecular Weight | 216.1814 |
| SMILES | OC(CCCOC1=C(F)C=C(F)C=C1)=O |
| Synonyms | 4-(2,4-difluorophenoxy)butanoic acid,
4-(2,4-Difluoro-phenoxy)-butyric acid,
127556-94-9,
ASN 14577963,
AC1O6DXI,
AC1Q75J2,
CTK7J3914,
ZINC4988645,
SBB085492,
STK317903,
AKOS000104451,
MCULE-1124421478,
NE13671,
TR-056565,
EN300-56554,
BRD-K05905980-001-01-2,
Z274553202,
CID6472956,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.184g/mol |
| Monoisotopic Mass | 216.06g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number