| CAS Number | 1352574-46-9 |
| Catalog Number | AG00IPSV(AGN-PC-0WAUNT) |
| Chemical Name | (E)-1-(4-chlorophenyl)-3-(2-fluorophenyl)-2-propen-1-one |
| IUPAC Name | (E)-1-(4-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one |
| InChI | InChI=1S/C15H10ClFO/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17/h1-10H/b10-7+ |
| InChI Key | UVDHXQBYZSKOPE-JXMROGBWSA-N |
| MDL Number | MFCD00540091 |
| Molecular Formula | C15H10ClFO |
| Molecular Weight | 260.6907 |
| SMILES | ClC2(=CC=C(C(=O)C=CC1(=C(F)C=CC=C1))C=C2) |
| Synonyms | (2E)-1-(4-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one,
1352574-46-9,
ST035556,
(E)-1-(4-chlorophenyl)-3-(2-fluorophenyl)-2-propen-1-one,
AC1NZWY4,
ARONIS001295,
SCHEMBL12443508,
ZINC4016431,
MFCD00540091,
STK391103,
AKOS000491115,
5N-717,
(E)-1-(4-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one,
ZINC04016431,
CID5919439,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 260.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.692g/mol |
| Monoisotopic Mass | 260.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number