| CAS Number | 1147871-74-6 |
| Catalog Number | AG0094IG |
| Chemical Name | 1-(3-Bromo-5-fluorophenyl)-2-methylpropan-1-one |
| IUPAC Name | 1-(3-bromo-5-fluorophenyl)-2-methylpropan-1-one |
| InChI | InChI=1S/C10H10BrFO/c1-6(2)10(13)7-3-8(11)5-9(12)4-7/h3-6H,1-2H3 |
| InChI Key | PZCAGILAIOQFKZ-UHFFFAOYSA-N |
| MDL Number | MFCD14584729 |
| Molecular Formula | C10H10BrFO |
| Molecular Weight | 245.0882 |
| SMILES | CC(C)C(C1=CC(F)=CC(Br)=C1)=O |
| Synonyms | 1-(3-bromo-5-fluorophenyl)-2-methylpropan-1-one,
1147871-74-6,
SCHEMBL13050414,
ZINC51971048,
AKOS015151122,
AJ-111971,
FT-0761462,
I01-1409,
Z2523753122,
1-Propanone, 1-(3-bromo-5-fluorophenyl)-2-methyl-,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.091g/mol |
| Monoisotopic Mass | 243.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number