| CAS Number | 40281-51-4 |
| Catalog Number | AG00CMF4(AGN-PC-039B4K) |
| Chemical Name | 1,2-bis(3-fluorophenyl)ethan-1-one |
| IUPAC Name | 1,2-bis(3-fluorophenyl)ethanone |
| InChI | InChI=1S/C14H10F2O/c15-12-5-1-3-10(7-12)8-14(17)11-4-2-6-13(16)9-11/h1-7,9H,8H2 |
| InChI Key | IUXIYCGOSUZQPA-UHFFFAOYSA-N |
| MDL Number | MFCD12605191 |
| Molecular Formula | C14H10F2O |
| Molecular Weight | 232.2254 |
| SMILES | FC1=CC(CC(C2=CC(F)=CC=C2)=O)=CC=C1 |
| Synonyms | 1,2-bis(3-fluorophenyl)ethanone,
40281-51-4,
1,2-bis(3-fluorophenyl)ethan-1-one,
3'-Fluoro-2-(3-fluorophenyl)acetophenone,
AC1Q4LMW,
CTK7C1829,
MFCD12605191,
ZINC37992310,
AKOS010014452,
MCULE-2781619862,
NE62513,
AJ-94441,
PS-11133,
ST2402946,
EN300-59481,
AS-813/43501873,
Z1245633418,
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| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.23g/mol |
| Monoisotopic Mass | 232.07g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number