| CAS Number | 918496-04-5 |
| Catalog Number | AG00IRXB(AGN-PC-0OMZNQ) |
| Chemical Name | 1-(4-bromophenyl)-3-(2,4-dichlorophenyl)-2-propen-1-one |
| IUPAC Name | 1-(4-bromophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one |
| InChI | InChI=1S/C15H9BrCl2O/c16-12-5-1-11(2-6-12)15(19)8-4-10-3-7-13(17)9-14(10)18/h1-9H |
| InChI Key | UYULJYQCIXAZIN-UHFFFAOYSA-N |
| MDL Number | MFCD00429859 |
| Molecular Formula | C15H9BrCl2O |
| Molecular Weight | 356.0414 |
| SMILES | [Br]C2(=CC=C(C(=O)C=CC1(=C(Cl)C=C(Cl)C=C1))C=C2) |
| Synonyms | 918496-04-5,
1-(4-bromophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one,
2-Propen-1-one, 1-(4-bromophenyl)-3-(2,4-dichlorophenyl)-, (2E)-,
AC1MCBLD,
Bionet1_001952,
CTK3H6969,
KS-00001MDL,
DTXSID30377555,
AKOS030240926,
MCULE-2980391430,
ZINC04013305,
CID2765636,
(2E)-1-(4-bromophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one,
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| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.921g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 356.04g/mol |
| Monoisotopic Mass | 353.921g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 5.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number