| CAS Number | 13794-03-1 |
| Catalog Number | AG01EKIV |
| Chemical Name | 2-(2-Benzyl-4-chlorophenoxy)propanoic acid |
| IUPAC Name | 2-(2-benzyl-4-chlorophenoxy)propanoic acid |
| InChI | InChI=1S/C16H15ClO3/c1-11(16(18)19)20-15-8-7-14(17)10-13(15)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,18,19) |
| InChI Key | BCTZOGLOMWLHGD-UHFFFAOYSA-N |
| MDL Number | MFCD09050611 |
| Molecular Formula | C16H15ClO3 |
| Molecular Weight | 290.7415 |
| SMILES | CC(C(O)=O)OC1=C(CC2=CC=CC=C2)C=C(Cl)C=C1 |
| Synonyms | 2-(2-BENZYL-4-CHLOROPHENOXY)PROPANOIC ACID,
SCHEMBL1332738,
CTK7I5124,
AKOS000133892,
13794-03-1,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.743g/mol |
| Monoisotopic Mass | 290.071g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
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Certificate of Analysis
Lot Number