| CAS Number | 497959-30-5 |
| Catalog Number | AG00DCJI |
| Chemical Name | 2,3-Dibromo-4'-fluoro-3-(4-fluorophenyl)propiophenone |
| IUPAC Name | 2,3-dibromo-1,3-bis(4-fluorophenyl)propan-1-one |
| InChI | InChI=1S/C15H10Br2F2O/c16-13(9-1-5-11(18)6-2-9)14(17)15(20)10-3-7-12(19)8-4-10/h1-8,13-14H |
| InChI Key | MDNPWHBTZZOMEX-UHFFFAOYSA-N |
| MDL Number | MFCD03788525 |
| Molecular Formula | C15H10Br2F2O |
| Molecular Weight | 404.0441 |
| SMILES | FC1=CC=C(C=C1)C(Br)C(Br)C(=O)C1=CC=C(F)C=C1 |
| Synonyms | 497959-30-5,
2,3-dibromo-1,3-bis(4-fluorophenyl)propan-1-one,
4,4'-Difluorochalcone dibromide,
1,3-Bis(4-fluorophenyl)-2,3-dibromopropan-1-one,
2,3-DIBROMO-4'-FLUORO-3-(4-FLUOROPHENYL)PROPIOPHENONE,
AC1MCV1Q,
ZX-AP002103,
MFCD03788525,
PC0818,
PS-9800,
K-9241,
ZINC02510729,
CID2779221,
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| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 403.905g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 404.049g/mol |
| Monoisotopic Mass | 401.907g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number