| CAS Number | 42017-94-7 |
| Catalog Number | AG019UVY |
| Chemical Name | 2-[4-(4-chlorobenzoyl)phenoxy]acetic acid |
| IUPAC Name | 2-[4-(4-chlorobenzoyl)phenoxy]acetic acid |
| InChI | InChI=1S/C15H11ClO4/c16-12-5-1-10(2-6-12)15(19)11-3-7-13(8-4-11)20-9-14(17)18/h1-8H,9H2,(H,17,18) |
| InChI Key | VXEQLPQDVNSOPB-UHFFFAOYSA-N |
| MDL Number | MFCD09044534 |
| Molecular Formula | C15H11ClO4 |
| Molecular Weight | 290.6984 |
| SMILES | OC(COC1=CC=C(C(C2=CC=C(Cl)C=C2)=O)C=C1)=O |
| Synonyms | 2-[4-(4-chlorobenzoyl)phenoxy]acetic Acid,
42017-94-7,
2-{4-[(4-chlorophenyl)carbonyl]phenoxy}acetic acid,
Acetic acid, (4-(4-chlorobenzoyl)phenoxy)-,
AC1L49JB,
AC1Q765R,
SCHEMBL17946627,
CTK7J5420,
ZINC6092749,
AKOS000128615,
MCULE-2761048543,
NE41748,
EN300-42988,
Z65941119,
CID181716,
|
| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.699g/mol |
| Monoisotopic Mass | 290.035g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number