| CAS Number | 1261946-22-8 |
| Catalog Number | AG000S81(AGN-PC-09O0R0) |
| Chemical Name | 3-(2-Chloro-5-hydroxyphenyl)-2-methylbenzoic acid |
| IUPAC Name | 3-(2-chloro-5-hydroxyphenyl)-2-methylbenzoic acid |
| InChI | InChI=1S/C14H11ClO3/c1-8-10(3-2-4-11(8)14(17)18)12-7-9(16)5-6-13(12)15/h2-7,16H,1H3,(H,17,18) |
| InChI Key | IKXZFFSKUCRXOB-UHFFFAOYSA-N |
| MDL Number | MFCD18320959 |
| Molecular Formula | C14H11ClO3 |
| Molecular Weight | 262.6883 |
| SMILES | Oc1ccc(c(c1)c1cccc(c1C)C(=O)O)Cl |
| Synonyms | 3-(2-CHLORO-5-HYDROXYPHENYL)-2-METHYLBENZOIC ACID,
1261946-22-8,
ACMC-209b6r,
CTK8A9786,
DTXSID80690468,
ANW-18769,
MFCD18320959,
ZINC65351252,
AKOS026672630,
TC-107514,
2'-Chloro-5'-hydroxy-2-methyl[1,1'-biphenyl]-3-carboxylic acid,
[1,1'-Biphenyl]-3-carboxylic acid, 2'-chloro-5'-hydroxy-2-methyl-,
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| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.689g/mol |
| Monoisotopic Mass | 262.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number