| CAS Number | 1621488-11-6 |
| Catalog Number | AG00IRHF(AGN-PC-0WAVB2) |
| Chemical Name | (E)-1-(2-chlorophenyl)-3-(4-chlorophenyl)-2-propen-1-one |
| IUPAC Name | 1-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-en-1-one |
| InChI | InChI=1S/C15H10Cl2O/c16-12-8-5-11(6-9-12)7-10-15(18)13-3-1-2-4-14(13)17/h1-10H |
| InChI Key | OSJLVENQEGLQPN-UHFFFAOYSA-N |
| MDL Number | MFCD00028390 |
| Molecular Formula | C15H10Cl2O |
| Molecular Weight | 277.1453 |
| SMILES | ClC2(=C(C(=O)C=CC1(=CC=C(Cl)C=C1))C=CC=C2) |
| Synonyms | 1621488-11-6,
AC1MXGCJ,
KS-00001MEV,
AKOS030245082,
MCULE-2214788276,
1-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-en-1-one,
(E)-1-(2-chlorophenyl)-3-(4-chlorophenyl)-2-propen-1-one,
ZINC04792610,
CID3815162,
(2E)-1-(2-Chlorophenyl)-3-(4-chlorophenyl)prop-2-en-1-one,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.144g/mol |
| Monoisotopic Mass | 276.011g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number