| CAS Number | 1352347-02-4 |
| Catalog Number | AG00IS9T(AGN-PC-0WAZDS) |
| Chemical Name | (2E)-1-(2-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
| IUPAC Name | 1-(2-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
| InChI | InChI=1S/C15H11ClO2/c16-14-4-2-1-3-13(14)15(18)10-7-11-5-8-12(17)9-6-11/h1-10,17H |
| InChI Key | FDGQCKIOOCJPLO-UHFFFAOYSA-N |
| MDL Number | MFCD01764279 |
| Molecular Formula | C15H11ClO2 |
| Molecular Weight | 258.6996 |
| SMILES | ClC2(=C(C(=O)C=CC1(=CC=C(O)C=C1))C=CC=C2) |
| Synonyms | (2E)-1-(2-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one,
1352347-02-4,
AC1MCZX9,
2'-chloro 4-hydroxy chalcone,
CTK7J9146,
FDGQCKIOOCJPLO-UHFFFAOYSA-N,
KS-000024WF,
AKOS030245863,
ZINC05771490,
CID2781383,
1-(2-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one,
|
| 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