| CAS Number | 1355247-96-9 |
| Catalog Number | AG009WMG |
| Chemical Name | 4-(2-Acetylphenyl)-2-chlorobenzoic acid |
| IUPAC Name | 4-(2-acetylphenyl)-2-chlorobenzoic acid |
| InChI | InChI=1S/C15H11ClO3/c1-9(17)11-4-2-3-5-12(11)10-6-7-13(15(18)19)14(16)8-10/h2-8H,1H3,(H,18,19) |
| InChI Key | OJORRYBFKFJYGU-UHFFFAOYSA-N |
| MDL Number | MFCD21333023 |
| Molecular Formula | C15H11ClO3 |
| Molecular Weight | 274.6990 |
| SMILES | OC(=O)c1ccc(cc1Cl)c1ccccc1C(=O)C |
| Synonyms | 4-(2-Acetylphenyl)-2-chlorobenzoic acid,
1355247-96-9,
ACMC-209c2y,
CTK8B0423,
DTXSID90742801,
ANW-19928,
MFCD21333023,
ZINC85476938,
TC-108673,
2'-Acetyl-3-chloro[1,1'-biphenyl]-4-carboxylic acid,
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| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.7g/mol |
| Monoisotopic Mass | 274.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number