| CAS Number | 927202-27-5 |
| Catalog Number | AG00IRGE(AGN-PC-0ONCQG) |
| Chemical Name | (E)-3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-2-propen-1-one |
| IUPAC Name | 3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one |
| InChI | InChI=1S/C16H12Cl2O2/c1-20-14-7-3-12(4-8-14)16(19)9-5-11-2-6-13(17)10-15(11)18/h2-10H,1H3 |
| InChI Key | UJAKORSMLGOYRP-UHFFFAOYSA-N |
| MDL Number | MFCD00220702 |
| Molecular Formula | C16H12Cl2O2 |
| Molecular Weight | 307.1713 |
| SMILES | ClC1(=C(C=CC(=C1)Cl)C=CC(=O)C2(=CC=C(OC)C=C2)) |
| Synonyms | 927202-27-5,
AC1L5KR9,
CTK7A1794,
DTXSID30298675,
KS-00001M5O,
AKOS030240931,
MCULE-1363127449,
(E)-3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-2-propen-1-one,
CID276865,
NSC125334,
3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one,
(2E)-3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.17g/mol |
| Monoisotopic Mass | 306.021g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number