| CAS Number | 1262004-81-8 |
| Catalog Number | AG009X0G(AGN-PC-0WABB5) |
| Chemical Name | 5-Chloro-3-(4-methoxycarbonylphenyl)benzoic acid |
| IUPAC Name | 3-chloro-5-(4-methoxycarbonylphenyl)benzoic acid |
| InChI | InChI=1S/C15H11ClO4/c1-20-15(19)10-4-2-9(3-5-10)11-6-12(14(17)18)8-13(16)7-11/h2-8H,1H3,(H,17,18) |
| InChI Key | HPQJHVRZRNPIAV-UHFFFAOYSA-N |
| MDL Number | MFCD18321242 |
| Molecular Formula | C15H11ClO4 |
| Molecular Weight | 290.6984 |
| SMILES | COC(=O)c1ccc(cc1)c1cc(Cl)cc(c1)C(=O)O |
| Synonyms | 1262004-81-8,
5-CHLORO-3-(4-METHOXYCARBONYLPHENYL)BENZOIC ACID,
DTXSID20690720,
MFCD18321242,
ZINC65351559,
AKOS026672670,
K-3849,
5-Chloro-4'-(methoxycarbonyl)[1,1'-biphenyl]-3-carboxylic acid,
3-chloro-5-(4-methoxycarbonylphenyl)benzoic acid,
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| Complexity | 363 |
| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number