| CAS Number | 126443-16-1 |
| Catalog Number | AG000STG(AGN-PC-0O0S66) |
| Chemical Name | (2E)-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one |
| IUPAC Name | 1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one |
| InChI | InChI=1S/C15H10BrClO/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(17)9-2-11/h1-10H |
| InChI Key | HYCQSDMDGCPEPI-UHFFFAOYSA-N |
| MDL Number | MFCD00018788 |
| Molecular Formula | C15H10BrClO |
| Molecular Weight | 321.5963 |
| SMILES | BrC1C=CC(=CC=1)C(/C=C/C1C=CC(=CC=1)Cl)=O |
| Synonyms | 2-Propen-1-one, 1-(4-bromophenyl)-3-(4-chlorophenyl)-, (2E)-,
126443-16-1,
1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one,
ACMC-20mrzx,
AC1L2L3I,
(Z)-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one,
CTK0F6630,
CTK6G9406,
KS-00001MCW,
HYCQSDMDGCPEPI-UHFFFAOYSA-N,
AKOS030241055,
MCULE-9772950739,
4'-Bromo-4-chlorochalcone,
CID22789,
NSC32214,
(z)-1-(4-bromophenyl)-3-(4-chlorophenyl)propenone,
1-(4-bromophenyl)-3-(4-chlorophenyl)-2-propen-1-one,
6332-22-5,
(2E)-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one,
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| 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
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Certificate of Analysis
Lot Number