| CAS Number | 204974-31-2 |
| Catalog Number | AG00BJ0C(AGN-PC-0O7GBV) |
| Chemical Name | (2E)-3-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one |
| IUPAC Name | 3-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one |
| InChI | InChI=1S/C15H10Cl2O2/c16-13-7-1-10(9-14(13)17)2-8-15(19)11-3-5-12(18)6-4-11/h1-9,18H |
| InChI Key | DXRYJTYVYNBKKK-UHFFFAOYSA-N |
| MDL Number | MFCD01935363 |
| Molecular Formula | C15H10Cl2O2 |
| Molecular Weight | 293.1447 |
| SMILES | ClC1(=C(Cl)C=CC(=C1)C=CC(=O)C2(=CC=C(O)C=C2)) |
| Synonyms | (2E)-3-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one,
204974-31-2,
AC1MCSIK,
CTK7J9035,
AKOS030241186,
KS-0000275X,
ZINC05944612,
CID2778088,
3-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.143g/mol |
| Monoisotopic Mass | 292.006g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number