| CAS Number | 1352318-33-2 |
| Catalog Number | AG009WL5(AGN-PC-0WA7A9) |
| Chemical Name | 3-(3-Chloro-4-methylphenyl)phenylacetic acid |
| IUPAC Name | 2-[3-(3-chloro-4-methylphenyl)phenyl]acetic acid |
| InChI | InChI=1S/C15H13ClO2/c1-10-5-6-13(9-14(10)16)12-4-2-3-11(7-12)8-15(17)18/h2-7,9H,8H2,1H3,(H,17,18) |
| InChI Key | KDKWTLORQWKWSX-UHFFFAOYSA-N |
| MDL Number | MFCD20529505 |
| Molecular Formula | C15H13ClO2 |
| Molecular Weight | 260.7155 |
| SMILES | OC(=O)Cc1cccc(c1)c1ccc(c(c1)Cl)C |
| Synonyms | 3-(3-Chloro-4-methylphenyl)phenylacetic acid,
1352318-33-2,
ACMC-209byv,
CTK8B0301,
DTXSID30718404,
ANW-19781,
MFCD20529505,
ZINC74937846,
TC-108526,
B-8557,
(3'-Chloro-4'-methyl[1,1'-biphenyl]-3-yl)acetic acid,
2-[3-(3-chloro-4-methylphenyl)phenyl]acetic acid,
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| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.717g/mol |
| Monoisotopic Mass | 260.06g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number