| CAS Number | 46698-36-6 |
| Catalog Number | AG00721C(AGN-PC-00O3HR) |
| Chemical Name | (4-Chlorophenyl)(3-fluorophenyl)methanone |
| IUPAC Name | (4-chlorophenyl)-(3-fluorophenyl)methanone |
| InChI | InChI=1S/C13H8ClFO/c14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h1-8H |
| InChI Key | FIFXBQVRZOTUNN-UHFFFAOYSA-N |
| MDL Number | MFCD09801597 |
| Molecular Formula | C13H8ClFO |
| Molecular Weight | 234.6534 |
| SMILES | C(=O)(C1=CC=C(Cl)C=C1)C1=CC=CC(F)=C1 |
| Synonyms | (4-Chlorophenyl)(3-fluorophenyl)methanone,
46698-36-6,
4-CHLORO-3'-FLUOROBENZOPHENONE,
ACMC-209k7n,
SCHEMBL1128726,
CTK4I9524,
DTXSID80550316,
FIFXBQVRZOTUNN-UHFFFAOYSA-N,
ANW-30465,
MFCD09801597,
ZINC11631585,
AKOS009339245,
ACM46698366,
AJ-59920,
AX8239328,
TC-119210,
(4-chlorophenyl)-(3-fluorophenyl)-methanone,
V6070,
(4-Chloro-phenyl)-(3-fluoro-phenyl)-methanone,
C13H8ClFO,
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| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.654g/mol |
| Monoisotopic Mass | 234.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number