| CAS Number | 1449400-19-4 |
| Catalog Number | AG00IRRY(AGN-PC-0WAVUL) |
| Chemical Name | (E)-1-(4-chlorophenyl)-3-(4-isopropylphenyl)-2-propen-1-one |
| IUPAC Name | (E)-1-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one |
| InChI | InChI=1S/C18H17ClO/c1-13(2)15-6-3-14(4-7-15)5-12-18(20)16-8-10-17(19)11-9-16/h3-13H,1-2H3/b12-5+ |
| InChI Key | RYGRDEVSSARKGB-LFYBBSHMSA-N |
| MDL Number | MFCD00018709 |
| Molecular Formula | C18H17ClO |
| Molecular Weight | 284.7800 |
| NSC Number | 139717 |
| SMILES | ClC2(=CC=C(C(=O)C=CC1(=CC=C(C(C)C)C=C1))C=C2) |
| Synonyms | (2E)-1-(4-Chlorophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one,
1449400-19-4,
(E)-1-(4-chlorophenyl)-3-(4-isopropylphenyl)-2-propen-1-one,
NSC139717,
AC1NYQP1,
ZINC4772940,
MFCD00018709,
AKOS005098278,
7J-576S,
NSC-139717,
(2E)-1-(4-chlorophenyl)-3-(4-isopropylphenyl)-2-propen-1-one,
(E)-1-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one,
CID5838012,
|
| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 284.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.783g/mol |
| Monoisotopic Mass | 284.097g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number