| CAS Number | 1261938-19-5 |
| Catalog Number | AG000S7C(AGN-PC-09O07X) |
| Chemical Name | 4-(4-Acetylphenyl)-2-chlorobenzoic acid |
| IUPAC Name | 4-(4-acetylphenyl)-2-chlorobenzoic acid |
| InChI | InChI=1S/C15H11ClO3/c1-9(17)10-2-4-11(5-3-10)12-6-7-13(15(18)19)14(16)8-12/h2-8H,1H3,(H,18,19) |
| InChI Key | UETBZAAXXXTMFP-UHFFFAOYSA-N |
| MDL Number | MFCD18320140 |
| Molecular Formula | C15H11ClO3 |
| Molecular Weight | 274.6990 |
| SMILES | CC(=O)c1ccc(cc1)c1ccc(c(c1)Cl)C(=O)O |
| Synonyms | 4-(4-ACETYLPHENYL)-2-CHLOROBENZOIC ACID,
1261938-19-5,
4'-Acetyl-3-chloro-[1,1'-biphenyl]-4-carboxylic acid,
ACMC-209b64,
SCHEMBL2560422,
CTK8A9766,
DTXSID10689784,
ANW-18746,
MFCD18320140,
ZINC65350532,
AKOS022184962,
AJ-115465,
TC-107491,
B-6915,
4'-Acetyl-3-chloro[1,1'-biphenyl]-4-carboxylic acid,
[1,1'-Biphenyl]-4-carboxylic acid, 4'-acetyl-3-chloro-,
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| Complexity | 347 |
| 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