| CAS Number | 1261913-44-3 |
| Catalog Number | AG009WTU(AGN-PC-0WAAEN) |
| Chemical Name | 4-Fluoro-3-(naphthalen-1-yl)benzoic acid |
| IUPAC Name | 4-fluoro-3-naphthalen-1-ylbenzoic acid |
| InChI | InChI=1S/C17H11FO2/c18-16-9-8-12(17(19)20)10-15(16)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,19,20) |
| InChI Key | CEJVPMARNOGNKR-UHFFFAOYSA-N |
| MDL Number | MFCD18321558 |
| Molecular Formula | C17H11FO2 |
| Molecular Weight | 266.2664 |
| SMILES | O=C(O)C1=CC=C(F)C(=C1)C2=CC=CC=3C=CC=CC32 |
| Synonyms | 4-Fluoro-3-(naphthalen-1-yl)benzoic acid,
1261913-44-3,
C17H11FO2,
MFCD18321558,
ZINC65354056,
AKOS026672611,
Z9137,
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| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.271g/mol |
| Monoisotopic Mass | 266.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
Lot Number