| CAS Number | 186036-04-4 |
| Catalog Number | AG01AB75(AGN-PC-03KJGE) |
| Chemical Name | 2-Bromo-1-(2,5-difluorophenyl)propan-1-one |
| IUPAC Name | 2-bromo-1-(2,5-difluorophenyl)propan-1-one |
| InChI | InChI=1S/C9H7BrF2O/c1-5(10)9(13)7-4-6(11)2-3-8(7)12/h2-5H,1H3 |
| InChI Key | RVYATSSPBCRXII-UHFFFAOYSA-N |
| MDL Number | MFCD11182341 |
| Molecular Formula | C9H7BrF2O |
| Molecular Weight | 249.0521 |
| SMILES | CC(C(C1=C(F)C=CC(F)=C1)=O)Br |
| Synonyms | 2-bromo-2',5'-difluoropropiophenone,
2-bromo-1-(2,5-difluorophenyl)propan-1-one,
186036-04-4,
AC1Q1LDL,
SCHEMBL5744377,
RVYATSSPBCRXII-UHFFFAOYSA-N,
AKOS009316504,
NE25588,
PS-9812,
EN300-70654,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.055g/mol |
| Monoisotopic Mass | 247.965g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number