| CAS Number | 133031-38-6 |
| Catalog Number | AG00IRXA(AGN-PC-0WAPIJ) |
| Chemical Name | 1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-2-propen-1-one |
| IUPAC Name | 1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one |
| InChI | InChI=1S/C15H9Cl3O/c16-12-5-2-11(3-6-12)15(19)8-4-10-1-7-13(17)9-14(10)18/h1-9H |
| InChI Key | GSQGUMFXFLWUJU-UHFFFAOYSA-N |
| MDL Number | MFCD00018690 |
| Molecular Formula | C15H9Cl3O |
| Molecular Weight | 311.5904 |
| SMILES | ClC1(=C(C=CC(=C1)Cl)C=CC(=O)C2(=CC=C(Cl)C=C2)) |
| Synonyms | 1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one,
57076-84-3,
133031-38-6,
AC1L6J0C,
(2E)-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one,
CTK6G9030,
KS-00001MQF,
DTXSID30303571,
1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-2-propen-1-one,
AKOS030243461,
MCULE-1258557467,
CID292908,
NSC159105,
|
| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.586g/mol |
| Monoisotopic Mass | 309.972g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 5.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number