| CAS Number | 1262004-76-1 |
| Catalog Number | AG000SC6(AGN-PC-09O0X4) |
| Chemical Name | 2-Chloro-4-(3-methoxycarbonylphenyl)benzoic acid |
| IUPAC Name | 2-chloro-4-(3-methoxycarbonylphenyl)benzoic acid |
| InChI | InChI=1S/C15H11ClO4/c1-20-15(19)11-4-2-3-9(7-11)10-5-6-12(14(17)18)13(16)8-10/h2-8H,1H3,(H,17,18) |
| InChI Key | VZNJWEPVHKLJCE-UHFFFAOYSA-N |
| MDL Number | MFCD18321211 |
| Molecular Formula | C15H11ClO4 |
| Molecular Weight | 290.6984 |
| SMILES | COC(=O)c1cccc(c1)c1ccc(c(c1)Cl)C(=O)[O-] |
| Synonyms | 1262004-76-1,
3-Chloro-3'-(methoxycarbonyl)-[1,1'-biphenyl]-4-carboxylic acid,
2-CHLORO-4-(3-METHOXYCARBONYLPHENYL)BENZOIC ACID,
ACMC-209bak,
CTK8A9906,
DTXSID60690688,
5167AA,
ANW-18906,
MFCD18321211,
ZINC65351523,
AJ-115496,
AX8243007,
TC-107651,
B-7035,
3-Chloro-3'-(methoxycarbonyl)[1,1'-biphenyl]-4-carboxylic acid,
C15H11ClO4,
3-Chloro-3'-(methoxycarbonyl)-[1,1'-biphenyl]-4-carboxylicacid,
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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
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