| CAS Number | 1261938-67-3 |
| Catalog Number | AG000S79(AGN-PC-0WA95I) |
| Chemical Name | 4-(3-Benzyloxyphenyl)-2-chlorobenzoic acid |
| IUPAC Name | 2-chloro-4-(3-phenylmethoxyphenyl)benzoic acid |
| InChI | InChI=1S/C20H15ClO3/c21-19-12-16(9-10-18(19)20(22)23)15-7-4-8-17(11-15)24-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23) |
| InChI Key | LYGJVTNOSZNABW-UHFFFAOYSA-N |
| MDL Number | MFCD18322880 |
| Molecular Formula | C20H15ClO3 |
| Molecular Weight | 338.7843 |
| SMILES | OC(=O)c1ccc(cc1Cl)c1cccc(c1)OCc1ccccc1 |
| Synonyms | 1261938-67-3,
4-(3-BENZYLOXYPHENYL)-2-CHLOROBENZOIC ACID,
3'-(Benzyloxy)-3-chloro-[1,1'-biphenyl]-4-carboxylic acid,
ACMC-209b67,
CTK8A9769,
DTXSID70692234,
ANW-18749,
MFCD18322880,
ZINC65355204,
AKOS022184974,
AJ-115531,
TC-107494,
B-6917,
3'-(Benzyloxy)-3-chloro[1,1'-biphenyl]-4-carboxylic acid,
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-3'-(phenylmethoxy)-,
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| Complexity | 408 |
| 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
Lot Number