| CAS Number | 126443-20-7 |
| Catalog Number | AG00IRSS(AGN-PC-0O0S6B) |
| Chemical Name | (2E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-en-1-one |
| IUPAC Name | 3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-en-1-one |
| InChI | InChI=1S/C15H10BrClO/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H |
| InChI Key | ZSTZCXBJHPAPIQ-UHFFFAOYSA-N |
| MDL Number | MFCD00018702 |
| Molecular Formula | C15H10BrClO |
| Molecular Weight | 321.5963 |
| SMILES | [Br]C2(=CC=C(C=CC(=O)C1(=CC=C(Cl)C=C1))C=C2) |
| Synonyms | 3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-en-1-one,
2-Propen-1-one,3-(4-bromophenyl)-1-(4-chlorophenyl)-,
AC1L6IXI,
CTK4E2018,
KS-00001MQJ,
126443-20-7,
AKOS030240013,
MCULE-6495680698,
FT-0770523,
A801250,
3-(4-bromophenyl)-1-(4-chlorophenyl)-2-propen-1-one,
4-Bromo-4'-chlorochalcone,
CID292874,
NSC159064,
19672-61-8,
(2E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-en-1-one,
105-48-6,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.598g/mol |
| Monoisotopic Mass | 319.96g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number