| CAS Number | 37620-37-4 |
| Catalog Number | AG0078HD(AGN-PC-0JSXKC) |
| Chemical Name | 3-(4-Chlorophenyl)-1-(p-tolyl)prop-2-en-1-one |
| IUPAC Name | 3-(4-chlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one |
| InChI | InChI=1S/C16H13ClO/c1-12-2-7-14(8-3-12)16(18)11-6-13-4-9-15(17)10-5-13/h2-11H,1H3 |
| InChI Key | WSEZVGWJTWBTQK-UHFFFAOYSA-N |
| MDL Number | MFCD00016346 |
| Molecular Formula | C16H13ClO |
| Molecular Weight | 256.7268 |
| SMILES | C1(=CC=C(C)C=C1)C(=O)/C=C/C1=CC=C(Cl)C=C1 |
| Synonyms | 4-chloro-4'-methylchalcone,
3-(4-chlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one,
37620-37-4,
3-(4-Chlorophenyl)-1-(p-tolyl)prop-2-en-1-one,
AC1LBQ9O,
CTK4H8511,
KS-00001MFV,
DTXSID40340194,
MCULE-6466650273,
DB-017633,
CID562395,
ZINC04293639,
(2E)-3-(4-chlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one,
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| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.729g/mol |
| Monoisotopic Mass | 256.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number