| CAS Number | 1164538-77-5 |
| Catalog Number | AG00IS65(AGN-PC-0WASBE) |
| Chemical Name | 3-(2-chloro-6-fluorophenyl)-1-(4-fluorophenyl)-2-propen-1-one |
| IUPAC Name | (E)-3-(2-chloro-6-fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one |
| InChI | InChI=1S/C15H9ClF2O/c16-13-2-1-3-14(18)12(13)8-9-15(19)10-4-6-11(17)7-5-10/h1-9H/b9-8+ |
| InChI Key | IVBDQOVDKGCUHI-CMDGGOBGSA-N |
| MDL Number | MFCD01315395 |
| Molecular Formula | C15H9ClF2O |
| Molecular Weight | 278.6812 |
| SMILES | ClC1(=C(C(F)=CC=C1)C=CC(=O)C2(=CC=C(F)C=C2)) |
| Synonyms | 1164538-77-5,
3-(2-chloro-6-fluorophenyl)-1-(4-fluorophenyl)-2-propen-1-one,
(2E)-3-(2-Chloro-6-fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one,
MLS000326373,
AC1NZX72,
CHEMBL1574603,
HMS2187J23,
ZINC4091616,
MFCD01315395,
AKOS005085967,
SMR000179003,
2N-043,
(E)-3-(2-chloro-6-fluoro-phenyl)-1-(4-fluorophenyl)prop-2-en-1-one,
(E)-3-(2-chloro-6-fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one,
CID5919679,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 278.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.683g/mol |
| Monoisotopic Mass | 278.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number