| CAS Number | 1262009-62-0 |
| Catalog Number | AG009X0D(AGN-PC-0WNPP3) |
| Chemical Name | 2-Chloro-5-(3-methoxycarbonylphenyl)benzoic acid |
| IUPAC Name | 2-chloro-5-(3-methoxycarbonylphenyl)benzoic acid |
| InChI | InChI=1S/C15H11ClO4/c1-20-15(19)11-4-2-3-9(7-11)10-5-6-13(16)12(8-10)14(17)18/h2-8H,1H3,(H,17,18) |
| InChI Key | IRBOSVRLRLPUMA-UHFFFAOYSA-N |
| MDL Number | MFCD18321210 |
| Molecular Formula | C15H11ClO4 |
| Molecular Weight | 290.6984 |
| SMILES | COC(=O)c1cccc(c1)c1ccc(c(c1)C(=O)O)Cl |
| Synonyms | 2-CHLORO-5-(3-METHOXYCARBONYLPHENYL)BENZOIC ACID,
1262009-62-0,
DTXSID00690687,
MFCD18321210,
ZINC65351521,
4-Chloro-3'-(methoxycarbonyl)[1,1'-biphenyl]-3-carboxylic acid,
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| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.699g/mol |
| Monoisotopic Mass | 290.035g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number