| CAS Number | 76626-08-9 |
| Catalog Number | AG00G5BS(AGN-PC-0KKZDZ) |
| Chemical Name | 4'-Fluoro-2-hydroxychalcone |
| IUPAC Name | 1-(4-fluorophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one |
| InChI | InChI=1S/C15H11FO2/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17/h1-10,17H |
| InChI Key | XIPWKLRFTVMIGM-UHFFFAOYSA-N |
| MDL Number | MFCD03788512 |
| Molecular Formula | C15H11FO2 |
| Molecular Weight | 242.2450 |
| SMILES | FC2(=CC=C(C(=O)C=CC1(=C(O)C=CC=C1))C=C2) |
| Synonyms | 4'-Fluoro-2-hydroxychalcone,
1-(4-fluorophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one,
76626-08-9,
AC1MCUYT,
CTK7B9689,
KS-00003R3K,
4-FLUORO-2'-HYDROXY-CHALCONE,
AKOS025393501,
PS-7560,
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| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.249g/mol |
| Monoisotopic Mass | 242.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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