| CAS Number | 1261998-46-2 |
| Catalog Number | AG000SB7(AGN-PC-09Q0HY) |
| Chemical Name | 4-(4-Chloro-3-methoxycarbonylphenyl)benzoic acid |
| IUPAC Name | 4-(4-chloro-3-methoxycarbonylphenyl)benzoic acid |
| InChI | InChI=1S/C15H11ClO4/c1-20-15(19)12-8-11(6-7-13(12)16)9-2-4-10(5-3-9)14(17)18/h2-8H,1H3,(H,17,18) |
| InChI Key | QAXFNLFHPDFVJL-UHFFFAOYSA-N |
| MDL Number | MFCD18312737 |
| Molecular Formula | C15H11ClO4 |
| Molecular Weight | 290.6984 |
| SMILES | COC(=O)c1cc(ccc1Cl)c1ccc(cc1)C(=O)[O-] |
| Synonyms | 1261998-46-2,
4'-Chloro-3'-(methoxycarbonyl)-[1,1'-biphenyl]-4-carboxylic acid,
4-(4-CHLORO-3-METHOXYCARBONYLPHENYL)BENZOIC ACID,
ACMC-209bac,
CTK8A9898,
DTXSID50683403,
5165AA,
ANW-18898,
MFCD18312737,
ZINC65339872,
AJ-115285,
AX8243008,
TC-107643,
4'-Chloro-3'-(methoxycarbonyl)[1,1'-biphenyl]-4-carboxylic acid,
C15H11ClO4,
4'-Chloro-3'-(methoxycarbonyl)-[1,1'-biphenyl]-4-carboxylicacid,
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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 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number