| CAS Number | 934022-18-1 |
| Catalog Number | AG00IPSS(AGN-PC-0WAUNN) |
| Chemical Name | (E)-1-(4-chlorophenyl)-3-(3-hydroxyphenyl)-2- propen-1-one |
| IUPAC Name | 1-(4-chlorophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one |
| InChI | InChI=1S/C15H11ClO2/c16-13-7-5-12(6-8-13)15(18)9-4-11-2-1-3-14(17)10-11/h1-10,17H |
| InChI Key | VXUPKQBNHDLETK-UHFFFAOYSA-N |
| MDL Number | MFCD01316686 |
| Molecular Formula | C15H11ClO2 |
| Molecular Weight | 258.6996 |
| SMILES | ClC2(=CC=C(C(=O)C=CC1(=CC(O)=CC=C1))C=C2) |
| Synonyms | 934022-18-1,
1-(4-chlorophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one,
(E)-1-(4-chlorophenyl)-3-(3-hydroxyphenyl)-2-propen-1-one,
AC1MC987,
(2E)-1-(4-CHLOROPHENYL)-3-(3-HYDROXYPHENYL)PROP-2-EN-1-ONE,
CTK5F6460,
KS-00001XQE,
DTXSID70377276,
AKOS030244948,
2-Propen-1-one,1-(4-chlorophenyl)-3-(3-hydroxyphenyl)-,
ZINC03884023,
CID2764060,
1-(4-CHLORO-PHENYL)-3-(3-HYDROXY-PHENYL)-PROPENONE,
86293-52-9,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.701g/mol |
| Monoisotopic Mass | 258.045g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number