| CAS Number | 52923-39-4 |
| Catalog Number | AG01FOOP(AGN-PC-0OBSN1) |
| Chemical Name | (2E)-3-(4-Chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one |
| IUPAC Name | 3-(4-chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one |
| InChI | InChI=1S/C15H11ClO2/c16-12-8-5-11(6-9-12)7-10-15(18)13-3-1-2-4-14(13)17/h1-10,17H |
| InChI Key | ZKBILMWSVPPRAT-UHFFFAOYSA-N |
| Molecular Formula | C15H11ClO2 |
| Molecular Weight | 258.6996 |
| SMILES | |
| Synonyms | 52923-39-4,
4-Chloro-2'-hydroxychalcone,
AC1L80RE,
CTK1G1782,
CTK6G9417,
ZKBILMWSVPPRAT-UHFFFAOYSA-N,
MCULE-1423470694,
KS-0000276G,
2-Propen-1-one, 3-(4-chlorophenyl)-1-(2-hydroxyphenyl)-, (2E)-,
CID344529,
NSC401491,
3-(4-chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one,
(2E)-3-(4-chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one,
3033-96-3,
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| 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 | 4.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number