| CAS Number | 152567-81-2 |
| Catalog Number | AG01A1Q0 |
| Chemical Name | 2-(3-Fluoro-4-methoxybenzoyl)benzoic acid |
| IUPAC Name | 2-(3-fluoro-4-methoxybenzoyl)benzoic acid |
| InChI | InChI=1S/C15H11FO4/c1-20-13-7-6-9(8-12(13)16)14(17)10-4-2-3-5-11(10)15(18)19/h2-8H,1H3,(H,18,19) |
| InChI Key | WEKIZZGUBCBQKN-UHFFFAOYSA-N |
| MDL Number | MFCD07776026 |
| Molecular Formula | C15H11FO4 |
| Molecular Weight | 274.2438 |
| SMILES | COC1=C(F)C=C(C(C2=C(C(O)=O)C=CC=C2)=O)C=C1 |
| Synonyms | 2-(3-fluoro-4-methoxybenzoyl)benzoic acid,
152567-81-2,
SCHEMBL1443452,
ZINC35424065,
AKOS009530208,
MCULE-4458114395,
NE52542,
Z1483991481,
CID10333525,
2-(3-fluoro-4-methoxy-benzoyl)benzoic Acid,
|
| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.247g/mol |
| Monoisotopic Mass | 274.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number