| CAS Number | 1261974-52-0 |
| Catalog Number | AG00HP59(AGN-PC-0WRAC7) |
| Chemical Name | 2-(2-Chloro-5-methoxyphenyl)benzoic acid |
| IUPAC Name | 2-(2-chloro-5-methoxyphenyl)benzoic acid |
| InChI | InChI=1S/C14H11ClO3/c1-18-9-6-7-13(15)12(8-9)10-4-2-3-5-11(10)14(16)17/h2-8H,1H3,(H,16,17) |
| InChI Key | ZWBDJNDVZJDUOF-UHFFFAOYSA-N |
| MDL Number | MFCD18312671 |
| Molecular Formula | C14H11ClO3 |
| Molecular Weight | 262.6883 |
| SMILES | COc1ccc(c(c1)c1ccccc1C(=O)O)Cl |
| Synonyms | 1261974-52-0,
2-(2-CHLORO-5-METHOXYPHENYL)BENZOIC ACID,
2'-Chloro-5'-methoxy-[1,1'-biphenyl]-2-carboxylic acid,
DTXSID60683338,
MFCD18312671,
AKOS027437027,
2'-Chloro-5'-methoxy[1,1'-biphenyl]-2-carboxylic acid,
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| Complexity | 295 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.689g/mol |
| Monoisotopic Mass | 262.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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