| CAS Number | 1345472-32-3 |
| Catalog Number | AG007M2Z(AGN-PC-0WA77B) |
| Chemical Name | 3-(2-Chloro-4-methoxyphenyl)phenylacetic acid |
| IUPAC Name | 2-[3-(2-chloro-4-methoxyphenyl)phenyl]acetic acid |
| InChI | InChI=1S/C15H13ClO3/c1-19-12-5-6-13(14(16)9-12)11-4-2-3-10(7-11)8-15(17)18/h2-7,9H,8H2,1H3,(H,17,18) |
| InChI Key | LZVVTJZPQITTCW-UHFFFAOYSA-N |
| MDL Number | MFCD20441952 |
| Molecular Formula | C15H13ClO3 |
| Molecular Weight | 276.7149 |
| SMILES | COc1ccc(c(c1)Cl)c1cccc(c1)CC(=O)O |
| Synonyms | 3-(2-Chloro-4-methoxyphenyl)phenylacetic acid,
1345472-32-3,
ACMC-209bw5,
CTK8B0264,
DTXSID00718577,
ANW-19683,
MFCD20441952,
ZINC74938320,
TC-108428,
B-9389,
(2'-Chloro-4'-methoxy[1,1'-biphenyl]-3-yl)acetic acid,
2-[3-(2-chloro-4-methoxyphenyl)phenyl]acetic acid,
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| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.716g/mol |
| Monoisotopic Mass | 276.055g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number