| CAS Number | 1092460-66-6 |
| Catalog Number | AG00VRPD(AGN-PC-0WAOO3) |
| Chemical Name | 3-(3-(Difluoromethoxy)phenyl)propanoic acid |
| IUPAC Name | 3-[3-(difluoromethoxy)phenyl]propanoic acid |
| InChI | InChI=1S/C10H10F2O3/c11-10(12)15-8-3-1-2-7(6-8)4-5-9(13)14/h1-3,6,10H,4-5H2,(H,13,14) |
| InChI Key | GWTSEGFRVOHJSG-UHFFFAOYSA-N |
| MDL Number | MFCD11519314 |
| Molecular Formula | C10H10F2O3 |
| Molecular Weight | 216.1814 |
| SMILES | C1=CC(=CC(=C1)OC(F)F)CCC(=O)O |
| Synonyms | 1092460-66-6,
3-[3-(difluoromethoxy)phenyl]propanoic acid,
3-[3-(DIFLUOROMETHOXY)PHENYL]PROPIONIC ACID,
MFCD11519314,
3-(3-(Difluoromethoxy)phenyl)propanoic acid,
SCHEMBL1567756,
CTK7J3074,
GWTSEGFRVOHJSG-UHFFFAOYSA-N,
SBB095222,
ZINC71867264,
AKOS015956718,
JS-4807,
3-(3-difluoromethoxy-phenyl)-propionic acid,
3-[3-(Difluoromethoxy)phenyl]propionic acid, JRD,
Z2379802480,
|
| Complexity | 209 |
| 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 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number