| CAS Number | 130820-52-9 |
| Catalog Number | AG00IOYN(AGN-PC-0WASBB) |
| Chemical Name | 3-(4-chlorophenyl)-1-(3-methoxyphenyl)-2-propen-1-one |
| IUPAC Name | 3-(4-chlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one |
| InChI | InChI=1S/C16H13ClO2/c1-19-15-4-2-3-13(11-15)16(18)10-7-12-5-8-14(17)9-6-12/h2-11H,1H3 |
| InChI Key | WSSJXMPMQBGMIC-UHFFFAOYSA-N |
| MDL Number | MFCD01315393 |
| Molecular Formula | C16H13ClO2 |
| Molecular Weight | 272.7262 |
| SMILES | ClC2(=CC=C(C=CC(=O)C1(=CC(OC)=CC=C1))C=C2) |
| Synonyms | 87664-39-9,
2-Propen-1-one, 3-(4-chlorophenyl)-1-(3-methoxyphenyl)-,
130820-52-9,
CBMicro_040475,
AC1MEM86,
CTK3C2624,
KS-00001MGS,
3-(4-chlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one,
DTXSID20387087,
AKOS030240230,
MCULE-8019936084,
3-(4-chlorophenyl)-1-(3-methoxyphenyl)-2-propen-1-one,
ZINC04091595,
CID2880544,
(2E)-3-(4-Chlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.728g/mol |
| Monoisotopic Mass | 272.06g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number