| CAS Number | 1262011-12-0 |
| Catalog Number | AG000SBU(AGN-PC-0WA98M) |
| Chemical Name | 4-(4-Benzyloxyphenyl)-2-chlorobenzoic acid |
| IUPAC Name | 2-chloro-4-(4-phenylmethoxyphenyl)benzoic acid |
| InChI | InChI=1S/C20H15ClO3/c21-19-12-16(8-11-18(19)20(22)23)15-6-9-17(10-7-15)24-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,23) |
| InChI Key | GWYSQXFESGGDRG-UHFFFAOYSA-N |
| MDL Number | MFCD18322911 |
| Molecular Formula | C20H15ClO3 |
| Molecular Weight | 338.7843 |
| SMILES | OC(=O)c1ccc(cc1Cl)c1ccc(cc1)OCc1ccccc1 |
| Synonyms | 1262011-12-0,
4-(4-BENZYLOXYPHENYL)-2-CHLOROBENZOIC ACID,
4'-(Benzyloxy)-3-chloro-[1,1'-biphenyl]-4-carboxylic acid,
ACMC-209baw,
CTK8A9918,
DTXSID80692265,
ANW-18918,
MFCD18322911,
ZINC65355232,
AKOS022184979,
AJ-115534,
TC-107663,
B-7045,
4'-(Benzyloxy)-3-chloro[1,1'-biphenyl]-4-carboxylic acid,
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-4'-(phenylmethoxy)-,
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| Complexity | 400 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.787g/mol |
| Monoisotopic Mass | 338.071g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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